SCHEMBL8587229

SCHEMBL8587229

N=C(N)Nc1ccc2c(c1)/C(=C\c1c[nH]c3ccccc13)C(=O)N2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 2/20 0.63
NTRK1 P04629 6/20 0.62
SYK P43405 1/20 0.62
RET P07949 3/20 0.61
PRKD3 O94806 2/20 0.61
ABL1 P00519 2/20 0.61
PDGFRB P09619 2/20 0.61
LTK P29376 2/20 0.61
KDR P35968 2/20 0.61
FLT3 P36888 2/20 0.61
CSNK1A1 P48729 2/20 0.61
CDK7 P50613 2/20 0.61
MAP2K1 Q02750 2/20 0.61
MST1R Q04912 2/20 0.61
NTRK3 Q16288 2/20 0.61
NTRK2 Q16620 2/20 0.61
AURKB Q96GD4 2/20 0.61
CLK4 Q9HAZ1 2/20 0.61
ALK Q9UM73 2/20 0.61
DAPK3 O43293 1/20 0.61

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
SCHEMBL8587231 1.00 PAK1 (0.63) PAK1NTRK1SYKRETPRKD3
SCHEMBL8585109 0.91 PAK1 (0.66) PAK1NTRK1SYKRETPRKD3
SCHEMBL8585108 0.91 PAK1 (0.66) PAK1NTRK1SYKRETPRKD3
SCHEMBL8584115 0.88 NTRK1 (0.61) PAK1NTRK1SYKRETPRKD3
SCHEMBL8584113 0.88 NTRK1 (0.61) PAK1NTRK1SYKRETPRKD3
SCHEMBL8697612 0.85 NTRK1 (0.54) PAK1NTRK1SYKRETPRKD3
SCHEMBL7551817 0.85 CHEK1 (0.64) PAK1NTRK1SYKAKT2PDPK1
SCHEMBL7551826 0.85 CHEK1 (0.64) PAK1NTRK1SYKAKT2PDPK1
SCHEMBL8585940 0.84 NTRK1 (0.66) PAK1NTRK1SYKRETPRKD3
SCHEMBL8585934 0.84 NTRK1 (0.66) PAK1NTRK1SYKRETPRKD3

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 6 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
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
EP-0752985-A1 HYDROSOLUBLE 3-ARYLIDENE-2-OXINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1997-01-15 EP disclosed
WO-1996022976-A1 HYDROSOLUBLE 3-ARYLIDENE-2-OXINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1996-08-01 WO disclosed