SCHEMBL2265615

SCHEMBL2265615

Cn1cc(-n2ccc(=O)c(Cc3cccc(N(CCCN4CCS(=O)(=O)CC4)C(=O)O)c3)n2)cn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
CCR5 P51681 7/20 0.33
IRAK1 P51617 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
HTR7 P34969 3/20 0.31
ENPP2 Q13822 1/20 0.31
OPRM1 P35372 1/20 0.30

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
SCHEMBL2219801 0.95 IRAK1 (0.33) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL2219314 0.93 CCR5 (0.34) KDRCCR5HTR7OPRM1
SCHEMBL2274437 0.90 CCR5 (0.34) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL2222897 0.90 SMN1; SMN2 (0.36) CCR5
SCHEMBL13275685 0.89 OPRM1 (0.33) ENPP2OPRM1
SCHEMBL2362780 0.88 OPRM1 (0.36) HTR7ENPP2OPRM1
SCHEMBL13507143 0.86 ENPP2 (0.33) ENPP2
SCHEMBL2221804 0.85 ENPP2 (0.35) FGFR1FGFR3ENPP2
SCHEMBL2272785 0.85 ENPP2 (0.35) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL13275099 0.85 CASR (0.36) OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed