SCHEMBL29650477

SCHEMBL29650477

Nc1ncnc2cnccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 3/20 0.55
PI4K2B Q8TCG2 3/20 0.55
PI4K2A Q9BTU6 3/20 0.55
PI4KB Q9UBF8 3/20 0.55
MAP4K4 O95819 12/20 0.51
EGFR P00533 3/20 0.45
KDM4A O75164 1/20 0.43
KDM4B O94953 1/20 0.43
KDM5C P41229 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
KDM3A Q9Y4C1 1/20 0.43
RET P07949 2/20 0.39
LRRK2 Q5S007 2/20 0.39
XDH P47989 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4870134 1.00 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL29418929 0.83 MAP4K4 (0.56) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL2847252 0.83 MAP4K4 (0.56) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL13899657 0.77 EGFR (0.46) MAP4K4EGFRKDM4AKDM4BKDM5C
SCHEMBL8252687 0.75 EGFR (0.45) EGFRKDM4AKDM4BKDM5CKDM4C
SCHEMBL6836406 0.75 EGFR (0.45) MAP4K4EGFRKDM4AKDM4BKDM5C
SCHEMBL3326011 0.75 EGFR (0.45) MAP4K4EGFRKDM4AKDM4BKDM5C
SCHEMBL12559902 0.75 EGFR (0.45) MAP4K4EGFRKDM4AKDM4BKDM5C
SCHEMBL29375518 0.75 EGFR (0.45) MAP4K4EGFRKDM4AKDM4BKDM5C
SCHEMBL244857 0.75 PDE4A (0.55) EGFRKDM4AKDM4BKDM5CKDM4C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621222-B 6-6 Fused bicyclic heteroaryl compounds and their use as LATS inhibitors 诺华股份有限公司 2024-12-17 CN claimed
CN-117500507-A Phosphorus derivatives as novel SOS1 inhibitors 拜耳公司 2024-02-02 CN claimed
WO-2023067546-A1 NOVEL BICYCLIC HETEROARYL DERIVATIVES AS SOS1:KRAS PROTEINPROTEIN INTERACTION INHIBITORS SATYARX PHARMA INNOVATIONS PVT LTD (IN) 2023-04-27 WO claimed
CN-115315424-A 2-methyl-aza-quinazolines 拜耳公司 2022-11-08 CN claimed
CN-114621222-A 6-6 fused bicyclic heteroaryl compounds and their use as LATS inhibitors 诺华股份有限公司 2022-06-14 CN claimed
WO-2025235874-A1 HETEROCYCLICS AS EGFR INHIBITORS SCHRÖDINGER, INC. (US) 2025-11-13 WO disclosed
WO-2025003694-A1 NEW TREATMENTS FOR PAIN SEVENLESS THERAPEUTICS LIMITED (GB) 2025-01-02 WO disclosed
CN-114621222-B 6-6 Fused bicyclic heteroaryl compounds and their use as LATS inhibitors 诺华股份有限公司 2024-12-17 CN disclosed
CN-117586265-A Nitrogen-containing heterocyclic compound, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-02-23 CN disclosed
CN-117500507-A Phosphorus derivatives as novel SOS1 inhibitors 拜耳公司 2024-02-02 CN disclosed
WO-2023215256-A1 SOS1 INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2023-11-09 WO disclosed
CN-110573511-B 6-6 fused bicyclic heteroaryl compounds and their use as LATS inhibitors 诺华股份有限公司 2023-04-25 CN disclosed
CN-115315424-A 2-methyl-aza-quinazolines 拜耳公司 2022-11-08 CN disclosed
CN-115244048-A Pyridopyrimidine derivatives useful for modulating AhR signaling 捷豹治疗有限公司 2022-10-25 CN disclosed
CN-114703144-A 6-6 fused bicyclic heteroaryl compounds and their use as LATS inhibitors 诺华股份有限公司 2022-07-05 CN disclosed
CN-114621222-A 6-6 fused bicyclic heteroaryl compounds and their use as LATS inhibitors 诺华股份有限公司 2022-06-14 CN disclosed
CN-114539245-A Pyrimidine-fused ring derivative-containing regulator, and preparation method and application thereof 上海翰森生物医药科技有限公司 2022-05-27 CN disclosed