SCHEMBL8415630

SCHEMBL8415630

O=C(CCN1CCCCC1)Nc1ccc2c(c1)C(=Cc1c[nH]c3ccccc13)C(=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 14/20 1.00
▸ MAPK1 P28482 1/20 0.78
▸ FLT3 P36888 3/20 0.54
▸ CSF1R P07333 2/20 0.53
▸ PDGFRB P09619 2/20 0.53
▸ PDGFRA P16234 2/20 0.53
▸ KDR P35968 2/20 0.53
▸ FLT1 P17948 1/20 0.53
▸ PDPK1 O15530 1/20 0.52
▸ AKT2 P31751 1/20 0.52
▸ NTRK1 P04629 2/20 0.51
▸ DAPK3 O43293 1/20 0.51
▸ PRKD3 O94806 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ LCK P06239 1/20 0.51
▸ FYN P06241 1/20 0.51
▸ RET P07949 1/20 0.51
▸ LTK P29376 1/20 0.51
▸ GRK5 P34947 1/20 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
SCHEMBL8415627 1.00 PAK1 (1.00) PAK1MAPK1FLT3CSF1RPDGFRB
SCHEMBL8808140 0.90 PAK1 (0.82) PAK1MAPK1FLT3CSF1RPDGFRB
SCHEMBL8585963 0.90 PAK1 (0.82) PAK1MAPK1FLT3CSF1RPDGFRB
SCHEMBL8428761 0.87 MAPK1 (1.00) PAK1MAPK1FLT3CSF1RPDGFRB
SCHEMBL6266403 0.87 MAPK1 (1.00) PAK1MAPK1FLT3CSF1RPDGFRB
SCHEMBL29537607 0.87 MAPK1 (1.00) PAK1MAPK1FLT3CSF1RPDGFRB
SCHEMBL29355210 0.87 MAPK1 (1.00) PAK1MAPK1FLT3CSF1RPDGFRB
Hydrochloric Acid SCHEMBL7554275 0.87 PAK1 (0.77) PAK1MAPK1FLT3CSF1RPDGFRB
SCHEMBL8530470 0.84 PAK1 (0.72) PAK1MAPK1
SCHEMBL8585959 0.82 PAK1 (0.70) PAK1MAPK1FLT3PDPK1AKT2

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