SCHEMBL8411239

SCHEMBL8411239

COc1ccc2[nH]cc(/C=C3/C(=O)Nc4ccc(NC(=O)CCC5CCCNC5)cc43)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.70
▸ PAK1 Q13153 6/20 0.53
▸ NTRK1 P04629 3/20 0.52
▸ NTRK3 Q16288 2/20 0.52
▸ NTRK2 Q16620 2/20 0.52
▸ PDGFRB P09619 2/20 0.52
▸ FLT3 P36888 2/20 0.52
▸ AURKB Q96GD4 2/20 0.52
▸ PRKD3 O94806 1/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ RET P07949 1/20 0.52
▸ LTK P29376 1/20 0.52
▸ KDR P35968 1/20 0.52
▸ MAP2K2 P36507 1/20 0.52
▸ CSNK1A1 P48729 1/20 0.52
▸ CDK8 P49336 1/20 0.52
▸ CDK7 P50613 1/20 0.52
▸ MAP2K1 Q02750 1/20 0.52
▸ MST1R Q04912 1/20 0.52
▸ CLK4 Q9HAZ1 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
SCHEMBL8411247 1.00 MAPK1 (0.70) MAPK1PAK1NTRK1NTRK3NTRK2
SCHEMBL8429168 0.88 PAK1 (0.68) MAPK1PAK1NTRK1NTRK3NTRK2
SCHEMBL8429175 0.88 PAK1 (0.68) MAPK1PAK1NTRK1NTRK3NTRK2
SCHEMBL29537607 0.82 MAPK1 (1.00) MAPK1PAK1NTRK1NTRK3NTRK2
SCHEMBL8428761 0.82 MAPK1 (1.00) MAPK1PAK1NTRK1NTRK3NTRK2
SCHEMBL29355210 0.82 MAPK1 (1.00) MAPK1PAK1NTRK1NTRK3NTRK2
SCHEMBL6266403 0.82 MAPK1 (1.00) MAPK1PAK1NTRK1NTRK3NTRK2
SCHEMBL5373331 0.78 TLK2 (0.67) NTRK1PDGFRBFLT3AURKBKDR
SCHEMBL6266401 0.78 NTRK1 (0.53) MAPK1NTRK1NTRK3NTRK2PDGFRB
SCHEMBL7555701 0.77 MAPK1 (0.65) MAPK1PAK1NTRK1NTRK3NTRK2

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
EP-0752985-B1 HYDROSOLUBLE 3-ARYLIDENE-2-OXINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 1999-08-04 — — EP claimed
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