SCHEMBL8429175

SCHEMBL8429175

O=C(CCC1CCCNC1)Nc1ccc2c(c1)C(=Cc1c[nH]c3ccccc13)C(=O)N2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 7/20 0.68
▸ MAPK1 P28482 1/20 0.53
▸ NTRK1 P04629 3/20 0.48
▸ PDGFRB P09619 3/20 0.48
▸ KDR P35968 3/20 0.48
▸ RET P07949 2/20 0.48
▸ PDGFRA P16234 2/20 0.48
▸ DAPK3 O43293 1/20 0.48
▸ PRKD3 O94806 1/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ LCK P06239 1/20 0.48
▸ FYN P06241 1/20 0.48
▸ CSF1R P07333 1/20 0.48
▸ LTK P29376 1/20 0.48
▸ GRK5 P34947 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ MAPK8 P45983 1/20 0.48
▸ CSNK1A1 P48729 1/20 0.48
▸ CDK7 P50613 1/20 0.48

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
SCHEMBL8429168 1.00 PAK1 (0.68) PAK1MAPK1NTRK1PDGFRBKDR
SCHEMBL8411239 0.88 MAPK1 (0.70) PAK1MAPK1NTRK1PDGFRBKDR
SCHEMBL8411247 0.88 MAPK1 (0.70) PAK1MAPK1NTRK1PDGFRBKDR
SCHEMBL5373331 0.83 TLK2 (0.67) NTRK1PDGFRBKDRPDGFRAFLT3
SCHEMBL8415627 0.81 PAK1 (1.00) PAK1MAPK1NTRK1PDGFRBKDR
SCHEMBL8415630 0.81 PAK1 (1.00) PAK1MAPK1NTRK1PDGFRBKDR
SCHEMBL5357950 0.78 PAK1 (0.46) PAK1MAPK1PDGFRBKDRPDGFRA
SCHEMBL5369667 0.78 HDAC3 (0.65) PAK1MAPK1NTRK1PDGFRBKDR
SCHEMBL5362266 0.78 HDAC3 (0.46) PAK1PDGFRBKDRPDGFRATLK2
SCHEMBL8585109 0.78 PAK1 (0.66) PAK1NTRK1PDGFRBKDRRET

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 1 patent. 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
Send feedback