SCHEMBL4725980

SCHEMBL4725980

N#Cc1cccc(NC(=O)c2cc(-c3cncc4ccccc34)c[nH]c2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.49
▸ CSF1R P07333 1/20 0.49
▸ IGF1R P08069 1/20 0.49
▸ PDGFRB P09619 1/20 0.49
▸ KIT P10721 1/20 0.49
▸ FGFR1 P11362 1/20 0.49
▸ FLT1 P17948 1/20 0.49
▸ FLT4 P35916 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ TEK Q02763 1/20 0.49
▸ HTT P42858 1/20 0.47
▸ EGLN1 Q9GZT9 1/20 0.44
▸ P2RX1 P51575 1/20 0.44
▸ MCL1 Q07820 1/20 0.43
▸ GRM4 Q14833 1/20 0.43
▸ MALT1 Q9UDY8 2/20 0.43
▸ GRM5 P41594 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL4727611 0.87 ABL1 (0.51) ABL1CSF1RIGF1RPDGFRBKIT
Hydrochloric Acid SCHEMBL4725333 0.86 ABL1 (0.50) ABL1CSF1RIGF1RPDGFRBKIT
SCHEMBL4726551 0.86 KDR (0.51) ABL1CSF1RIGF1RPDGFRBKIT
SCHEMBL4730317 0.86 KDR (0.51) ABL1CSF1RIGF1RPDGFRBKIT
SCHEMBL4726488 0.84 ABL1 (0.49) ABL1CSF1RIGF1RPDGFRBKIT
SCHEMBL4730202 0.84 NPC1 (0.51) ABL1CSF1RIGF1RPDGFRBKIT
SCHEMBL4725101 0.83 MEN1 (0.55) ABL1CSF1RIGF1RPDGFRBKIT
SCHEMBL4725360 0.83 POLB (0.50) ABL1CSF1RIGF1RPDGFRBKIT
SCHEMBL4725913 0.83 RXFP1 (0.53) ABL1CSF1RIGF1RPDGFRBKIT
SCHEMBL4778013 0.83 KDR (0.49) ABL1CSF1RIGF1RPDGFRBKIT

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
WO-2008021725-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 — — WO claimed
WO-2008021725-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 — — WO disclosed
WO-2008021725-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 — — WO disclosed
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