SCHEMBL8585963

SCHEMBL8585963

O=C(CCN1CCCCC1)Nc1ccc2[nH]cc(C=C3C(=O)Nc4ccccc43)c2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 9/20 0.82
▸ MAPK1 P28482 1/20 0.75
▸ TERT O14746 3/20 0.53
▸ NTRK1 P04629 4/20 0.51
▸ FLT3 P36888 4/20 0.51
▸ PDGFRB P09619 3/20 0.51
▸ KDR P35968 3/20 0.51
▸ PRKD3 O94806 2/20 0.51
▸ ABL1 P00519 2/20 0.51
▸ RET P07949 2/20 0.51
▸ LTK P29376 2/20 0.51
▸ CSNK1A1 P48729 2/20 0.51
▸ CDK7 P50613 2/20 0.51
▸ MAP2K1 Q02750 2/20 0.51
▸ MST1R Q04912 2/20 0.51
▸ NTRK3 Q16288 2/20 0.51
▸ NTRK2 Q16620 2/20 0.51
▸ AURKB Q96GD4 2/20 0.51
▸ CLK4 Q9HAZ1 2/20 0.51
▸ ALK Q9UM73 2/20 0.51

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
SCHEMBL8808140 1.00 PAK1 (0.82) PAK1MAPK1TERTNTRK1FLT3
SCHEMBL8415627 0.90 PAK1 (1.00) PAK1MAPK1NTRK1FLT3PDGFRB
SCHEMBL8415630 0.90 PAK1 (1.00) PAK1MAPK1NTRK1FLT3PDGFRB
SCHEMBL8321792 0.88 PAK1 (0.69) PAK1MAPK1TERTHPGDS
SCHEMBL29537607 0.86 MAPK1 (1.00) PAK1MAPK1NTRK1FLT3PDGFRB
SCHEMBL6266403 0.86 MAPK1 (1.00) PAK1MAPK1NTRK1FLT3PDGFRB
SCHEMBL29355210 0.86 MAPK1 (1.00) PAK1MAPK1NTRK1FLT3PDGFRB
SCHEMBL8428761 0.86 MAPK1 (1.00) PAK1MAPK1NTRK1FLT3PDGFRB
Hydrochloric Acid SCHEMBL7554275 0.81 PAK1 (0.77) PAK1MAPK1FLT3PDGFRBKDR
SCHEMBL8586376 0.80 NTRK1 (0.63) PAK1MAPK1NTRK1FLT3PDGFRB

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
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