SCHEMBL29945835

SCHEMBL29945835

COc1cc2c(Cl)nnc(C(F)(F)F)c2cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
KDM4E B2RXH2 1/20 0.36
ENPP1 P22413 4/20 0.36
AURKA O14965 1/20 0.36
SOS1 Q07889 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
MITF O75030 1/20 0.35
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ENPP3 O14638 1/20 0.34
PGK1 P00558 1/20 0.33
FLT1 P17948 1/20 0.33
LMNA P02545 1/20 0.33
EGFR P00533 1/20 0.32

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
SCHEMBL23526090 1.00 PDE5A (0.38) PDE5APDE3BPDE3AKDM4EENPP1
SCHEMBL8857450 0.83 ENPP1 (0.44) PDE5APDE3BPDE3AKDM4EENPP1
SCHEMBL29945847 0.83 ENPP1 (0.44) PDE5APDE3BPDE3AKDM4EENPP1
SCHEMBL25839210 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL29945802 0.79 PDE3B (0.38) PDE5APDE3BPDE3AKDM4EAURKA
SCHEMBL4115923 0.79 DYRK1A (0.44) PDE5AKDM4EENPP1PDE10AMAPT
SCHEMBL29945735 0.74 KDM4E (0.42) PDE5APDE3BPDE3AKDM4EENPP1
SCHEMBL23526128 0.74 KDM4E (0.42) PDE5APDE3BPDE3AKDM4EENPP1
SCHEMBL30014008 0.71 ALDH1A1 (0.50) PDE3BPDE3AKDM4ESOS1PDE10A
SCHEMBL29230204 0.70 SMN1; SMN2 (0.50) PDE3BPDE3AKDM4EALDH1A1EGFR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462626-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2025-02-18 CN disclosed
CN-115135315-B SOS1 inhibitors 米拉蒂治疗股份有限公司 2024-11-26 CN disclosed
EP-4076418-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115135315-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2022-09-30 CN disclosed