SCHEMBL30860266

SCHEMBL30860266

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2cc3c(cc2N(C)S(C)(=O)=O)OCO3)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.60
▸ MET P08581 2/20 0.54
▸ INSR P06213 1/20 0.53
▸ IGF1R P08069 1/20 0.53
▸ ALK Q9UM73 1/20 0.53
▸ CHEK1 O14757 1/20 0.52
▸ AURKA O14965 1/20 0.52
▸ CCNT1 O60563 1/20 0.52
▸ JAK2 O60674 1/20 0.52
▸ RET P07949 1/20 0.52
▸ ROS1 P08922 1/20 0.52
▸ PDGFRB P09619 1/20 0.52
▸ KIT P10721 1/20 0.52
▸ PIM1 P11309 1/20 0.52
▸ PDGFRA P16234 1/20 0.52
▸ FER P16591 1/20 0.52
▸ EPHA1 P21709 1/20 0.52
▸ MAPK3 P27361 1/20 0.52
▸ EPHB2 P29323 1/20 0.52
▸ AXL P30530 1/20 0.52

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
SCHEMBL30860268 0.96 EGFR (0.65) EGFRMETINSRIGF1RALK
SCHEMBL30860245 0.93 EGFR (0.58) EGFRMETINSRIGF1RALK
SCHEMBL30860338 0.93 EGFR (0.61) EGFRMET
SCHEMBL30860374 0.92 EGFR (0.64) EGFRMETINSRIGF1RALK
SCHEMBL26906994 0.92 EGFR (0.61) EGFRMETINSRIGF1RALK
SCHEMBL30860282 0.91 EGFR (0.51) EGFRMETINSRIGF1RALK
SCHEMBL30860234 0.90 EGFR (0.67) EGFRMETINSRIGF1RALK
SCHEMBL30860424 0.89 EGFR (0.56) EGFRMETINSRIGF1RALK
SCHEMBL30860448 0.89 EGFR (0.62) EGFRMETINSRIGF1RALK
SCHEMBL30860280 0.89 EGFR (0.66) EGFRMETINSRIGF1RALK

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
Send feedback