SCHEMBL30860752

SCHEMBL30860752

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccc3c(c2N(C)S(C)(=O)=O)OCC3)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.55
▸ MET P08581 2/20 0.48
▸ CHEK1 O14757 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ CCNT1 O60563 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ RET P07949 1/20 0.47
▸ ROS1 P08922 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ KIT P10721 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ FER P16591 1/20 0.47
▸ EPHA1 P21709 1/20 0.47
▸ MAPK3 P27361 1/20 0.47
▸ EPHB2 P29323 1/20 0.47
▸ AXL P30530 1/20 0.47
▸ MAPK8 P45983 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ PKD1 P98161 1/20 0.47

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
SCHEMBL30860750 0.92 EGFR (0.55) EGFRMETCHEK1AURKACCNT1
SCHEMBL30860375 0.90 EGFR (0.66) EGFRMETCHEK1AURKACCNT1
SCHEMBL30860275 0.89 EGFR (0.57) EGFRMETCHEK1AURKACCNT1
SCHEMBL30860746 0.89 EGFR (0.54) EGFRMETCHEK1AURKACCNT1
SCHEMBL29974578 0.87 EGFR (0.62) EGFRMETCHEK1AURKACCNT1
SCHEMBL27091359 0.87 EGFR (0.62) EGFR
SCHEMBL29785229 0.87 EGFR (0.62) EGFR
SCHEMBL30860759 0.87 EGFR (0.56) EGFRMETCHEK1AURKACCNT1
SCHEMBL25001448 0.86 EGFR (0.58) EGFRMETCHEK1AURKAJAK2
SCHEMBL30860424 0.86 EGFR (0.56) EGFRMETBTKPLK1

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 1 patent. 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 disclosed
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