SCHEMBL28431630

SCHEMBL28431630

COc1cc2nccc(Nc3ccc(O)cc3Cl)c2cc1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.59
▸ CSF1R P07333 11/20 0.56
▸ RET P07949 3/20 0.53
▸ PDGFRB P09619 3/20 0.53
▸ PDGFRA P16234 3/20 0.53
▸ FGFR1 P11362 3/20 0.53
▸ FLT1 P17948 3/20 0.53
▸ KDR P35968 3/20 0.53
▸ KIT P10721 2/20 0.53
▸ FLT4 P35916 2/20 0.53
▸ AURKB Q96GD4 2/20 0.53
▸ RIPK2 O43353 1/20 0.53
▸ ERN1 O75460 1/20 0.53
▸ STK10 O94804 1/20 0.53
▸ MAP3K6 O95382 1/20 0.53
▸ ABL1 P00519 1/20 0.53
▸ ESR1 P03372 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ BCR P11274 1/20 0.53
▸ NQO2 P16083 1/20 0.53

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
SCHEMBL28434572 0.86 KDR (0.71) SRCRETPDGFRBPDGFRAFGFR1
SCHEMBL22505737 0.82 KDR (0.54) SRCCSF1RRETPDGFRBPDGFRA
SCHEMBL22505593 0.80 EGFR (0.57) SRCCSF1RRETPDGFRBPDGFRA
SCHEMBL31218187 0.79 KDR (0.56) CSF1RRETPDGFRBPDGFRAFGFR1
SCHEMBL1323767 0.79 KDR (0.56) CSF1RRETPDGFRBPDGFRAFGFR1
SCHEMBL22535136 0.78 KDR (0.52) SRCCSF1RRETPDGFRBPDGFRA
SCHEMBL22535121 0.77 PDGFRA (0.51) SRCCSF1RRETPDGFRBPDGFRA
SCHEMBL22505696 0.77 FLT3 (0.56) —
SCHEMBL22505754 0.77 KDR (0.46) SRCCSF1RRETPDGFRBPDGFRA
SCHEMBL28300775 0.77 RIPK2 (0.59) SRCRETKDRAURKBRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111298127-A Composition comprising histamine release-promoting substance and inhibitory compound, and oral solid preparation containing the same 黄泳华 2020-06-19 — — CN claimed
CN-111349045-A Synthetic method of lenvatinib and novel intermediate 江苏万邦生化医药集团有限责任公司 2020-06-30 — — CN disclosed
CN-111298127-A Composition comprising histamine release-promoting substance and inhibitory compound, and oral solid preparation containing the same 黄泳华 2020-06-19 — — CN disclosed
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