SCHEMBL8584743

SCHEMBL8584743

COc1ccc2[nH]cc(CC=C3C(=O)Nc4ccc(NCC(O)CO)cc43)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ NTRK1 P04629 5/20 0.44
▸ NTRK3 Q16288 2/20 0.44
▸ NTRK2 Q16620 2/20 0.44
▸ FLT3 P36888 2/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ RET P07949 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ LTK P29376 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ MAP2K2 P36507 1/20 0.44
▸ CSNK1A1 P48729 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ CDK7 P50613 1/20 0.44
▸ MAP2K1 Q02750 1/20 0.44
▸ MST1R Q04912 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ ALK Q9UM73 1/20 0.44

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
SCHEMBL8588021 0.87 NTRK1 (0.61) MAPK1NTRK1NTRK3NTRK2FLT3
SCHEMBL8588017 0.87 NTRK1 (0.61) MAPK1NTRK1NTRK3NTRK2FLT3
SCHEMBL8811026 0.80 NR4A2 (0.42) MAPK1NTRK1NTRK3NTRK2FLT3
SCHEMBL8584740 0.80 NR4A2 (0.42) MAPK1NTRK1NTRK3NTRK2FLT3
SCHEMBL8583949 0.74 NTRK1 (0.57) MAPK1NTRK1NTRK3NTRK2FLT3
SCHEMBL8583955 0.74 NTRK1 (0.57) MAPK1NTRK1NTRK3NTRK2FLT3
SCHEMBL5367043 0.72 NTRK1 (0.66) NTRK1PDPK1TLK2
SCHEMBL8584323 0.70 NTRK1 (0.57) MAPK1NTRK1NTRK3NTRK2FLT3
SCHEMBL8814373 0.70 NTRK1 (0.57) MAPK1NTRK1NTRK3NTRK2FLT3
SCHEMBL7555701 0.67 MAPK1 (0.65) MAPK1NTRK1NTRK3NTRK2FLT3

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
US-5840745-A INHIBITING CELL PROLIFERATION, TUMOR GROWTH, METASTASIS, DEVELOPMENT OF ATHEROMATOUS PLAQUE AND RESTENOSIS, CONTROLLING ANGIOGENESIS, TREATING DIABETES, ENHANCING CANCER THERAPY PHARMACIA S. P. A. (IT) 1998-11-24 — — US claimed
EP-0752985-A1 HYDROSOLUBLE 3-ARYLIDENE-2-OXINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1997-01-15 — — EP claimed
WO-1996022976-A1 HYDROSOLUBLE 3-ARYLIDENE-2-OXINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1996-08-01 — — WO claimed
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