SCHEMBL7834368

SCHEMBL7834368

COc1ccccc1-c1ccc2c(c1)NC(=O)/C2=C\c1cc2c([nH]1)CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 12/20 1.00
▸ KDR P35968 11/20 1.00
▸ FGFR1 P11362 9/20 1.00
▸ SRC P12931 8/20 0.68
▸ CHEK1 O14757 2/20 0.54
▸ EGFR P00533 3/20 0.52
▸ RET P07949 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ RGS12 O14924 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ GMNN O75496 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ FYN P06241 1/20 0.52
▸ YES1 P07947 1/20 0.52
▸ LYN P07948 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ MAPT P10636 1/20 0.52

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
SCHEMBL7834370 1.00 PDGFRB (1.00) PDGFRBKDRFGFR1SRCCHEK1
SCHEMBL7838947 0.84 FGFR1 (1.00) PDGFRBKDRFGFR1SRCCHEK1
SCHEMBL7838948 0.84 FGFR1 (1.00) PDGFRBKDRFGFR1SRCCHEK1
SCHEMBL7825508 0.82 PDGFRB (0.72) PDGFRBKDRFGFR1SRCCHEK1
SCHEMBL8211103 0.82 PDGFRB (0.72) PDGFRBKDRFGFR1SRCCHEK1
SCHEMBL1063000 0.82 KDR (1.00) PDGFRBKDRFGFR1SRCCHEK1
SCHEMBL1062998 0.82 KDR (1.00) PDGFRBKDRFGFR1SRCCHEK1
SCHEMBL14519098 0.82 KDR (1.00) PDGFRBKDRFGFR1SRCCHEK1
SCHEMBL3487517 0.77 KDR (0.85) PDGFRBKDRFGFR1SRCRET
SCHEMBL7832595 0.77 TLK2 (0.67) PDGFRBKDRFGFR1SRCCHEK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066257-A2 HETEROCYLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE Sugen, Inc. (US) 2001-01-10 — — EP disclosed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 — — WO disclosed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 — — WO disclosed
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