SCHEMBL30860284

SCHEMBL30860284

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(Cl)cc1Nc1ncc(Br)c(Nc2cc3c(cc2P(C)(C)=O)CCO3)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.62
▸ INSR P06213 4/20 0.60
▸ IGF1R P08069 4/20 0.60
▸ ALK Q9UM73 4/20 0.60
▸ CHEK1 O14757 2/20 0.55
▸ AURKA O14965 2/20 0.55
▸ JAK2 O60674 2/20 0.55
▸ RET P07949 2/20 0.55
▸ MET P08581 2/20 0.55
▸ ROS1 P08922 2/20 0.55
▸ KIT P10721 2/20 0.55
▸ FER P16591 2/20 0.55
▸ PTK2 Q05397 2/20 0.55
▸ BTK Q06187 2/20 0.55
▸ PTK6 Q13882 2/20 0.55
▸ RPS6KA1 Q15418 2/20 0.55
▸ NUAK1 O60285 1/20 0.55
▸ STK10 O94804 1/20 0.55
▸ PRKD3 O94806 1/20 0.55
▸ SLC34A2 O95436 1/20 0.55

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
SCHEMBL30860743 0.93 EGFR (0.65) EGFRINSRIGF1RALKCHEK1
SCHEMBL30860390 0.93 EGFR (0.72) EGFRINSRIGF1RALKCHEK1
SCHEMBL30860764 0.89 EGFR (0.55) EGFRINSRIGF1RALKCHEK1
SCHEMBL30860727 0.89 EGFR (0.67) EGFRINSRIGF1RALKCHEK1
SCHEMBL26906589 0.88 EGFR (0.55) EGFRINSRIGF1RALKMET
SCHEMBL30860304 0.88 EGFR (0.60) EGFRINSRIGF1RALKCHEK1
SCHEMBL24178987 0.88 EGFR (0.67) EGFRINSRIGF1RALKCHEK1
SCHEMBL24179085 0.87 ALK (0.68) EGFRINSRIGF1RALKCHEK1
SCHEMBL26906830 0.86 EGFR (0.56) EGFRINSRIGF1RALKMET
SCHEMBL25450066 0.86 ALK (0.68) EGFRINSRIGF1RALKCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024072075-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 테라펙스 2024-04-04 — — WO claimed
WO-2024072075-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 테라펙스 2024-04-04 — — WO disclosed
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