SCHEMBL8588017

SCHEMBL8588017

COc1ccc2[nH]cc(/C=C3/C(=O)Nc4ccc(NCC(O)CO)cc43)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 5/20 0.61
▸ NTRK3 Q16288 2/20 0.61
▸ NTRK2 Q16620 2/20 0.61
▸ PRKD3 O94806 1/20 0.61
▸ ABL1 P00519 1/20 0.61
▸ RET P07949 1/20 0.61
▸ PDGFRB P09619 1/20 0.61
▸ LTK P29376 1/20 0.61
▸ KDR P35968 1/20 0.61
▸ MAP2K2 P36507 1/20 0.61
▸ FLT3 P36888 1/20 0.61
▸ CSNK1A1 P48729 1/20 0.61
▸ CDK8 P49336 1/20 0.61
▸ CDK7 P50613 1/20 0.61
▸ MAP2K1 Q02750 1/20 0.61
▸ MST1R Q04912 1/20 0.61
▸ AURKB Q96GD4 1/20 0.61
▸ CLK4 Q9HAZ1 1/20 0.61
▸ ALK Q9UM73 1/20 0.61
▸ MAPK1 P28482 1/20 0.60

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 1.00 NTRK1 (0.61) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL8584743 0.87 MAPK1 (0.46) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL8583949 0.86 NTRK1 (0.57) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL8583955 0.86 NTRK1 (0.57) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL8584323 0.84 NTRK1 (0.57) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL8814373 0.84 NTRK1 (0.57) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL7780481 0.82 NTRK1 (0.83) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL8811026 0.81 NR4A2 (0.42) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL8584740 0.81 NR4A2 (0.42) NTRK1NTRK3NTRK2PRKD3ABL1
SCHEMBL7555701 0.80 MAPK1 (0.65) NTRK1NTRK3NTRK2PRKD3ABL1

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
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 disclosed
WO-1996022976-A1 HYDROSOLUBLE 3-ARYLIDENE-2-OXINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1996-08-01 — — WO disclosed
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