SCHEMBL29540227

SCHEMBL29540227

COc1cc2ncnc(N)c2cc1OCCCN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.65
KDM1A O60341 1/20 0.64
KDM4E B2RXH2 1/20 0.64
AURKA O14965 2/20 0.63
EGFR P00533 6/20 0.62
KDR P35968 6/20 0.62
AXL P30530 2/20 0.59
ATM Q13315 1/20 0.59
FLT4 P35916 2/20 0.59
CIT O14578 1/20 0.59
GAK O14976 1/20 0.59
EPHB6 O15197 1/20 0.59
ABCC4 O15439 1/20 0.59
DAPK3 O43293 1/20 0.59
RIPK2 O43353 1/20 0.59
NR1I2 O75469 1/20 0.59
RPS6KA4 O75676 1/20 0.59
STK17B O94768 1/20 0.59
STK10 O94804 1/20 0.59
PRKD3 O94806 1/20 0.59

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
SCHEMBL4422710 1.00 SRC (0.65) SRCKDM1AKDM4EAURKAEGFR
SCHEMBL4428694 1.00 SRC (0.65) SRCKDM1AKDM4EAURKAEGFR
SCHEMBL4417717 0.94 KDR (0.61) SRCKDM1AKDM4EAURKAEGFR
SCHEMBL31491127 0.90 SRC (0.53) SRCKDM1AKDM4EAURKAEGFR
SCHEMBL4426202 0.90 EHMT2 (0.70) SRCEGFRKDRAXLFLT4
SCHEMBL4431962 0.89 EHMT2 (0.69) EGFRKDRFLT4ABCB11RET
SCHEMBL4423943 0.89 EHMT2 (0.59) KDM1AAURKAEGFRKDRFLT4
SCHEMBL4430442 0.89 EHMT2 (0.69) EGFRKDRFLT4ABCB11RET
SCHEMBL25281864 0.88 SRC (0.66) SRCKDM1AKDM4EAURKAEGFR
SCHEMBL5495221 0.88 SRC (0.66) SRCKDM1AKDM4EAURKAEGFR

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
EP-4281078-A1 PHARMACEUTICAL COMBINATIONS OF SOS1 INHIBITORS FOR TREATING AND/OR PREVENTING CANCER Lupin Limited (IN) 2023-11-29 EP disclosed
CN-115403557-A Quinoline and quinazoline compounds as fourth-generation EGFR (epidermal growth factor receptor) inhibitor and application thereof 华东理工大学 2022-11-29 CN disclosed
WO-2022157629-A1 PHARMACEUTICAL COMBINATIONS OF SOS1 INHIBITORS FOR TREATING AND/OR PREVENTING CANCER LUPIN LIMITED (IN) 2022-07-28 WO disclosed
CN-110418789-B Derivatives of N-cycloalkyl/heterocycloalkyl-4- (imidazo [1,2-a ] pyridine) pyrimidin-2-amines as therapeutic agents 常州千红生化制药股份有限公司 2022-03-25 CN disclosed