SCHEMBL2365324

SCHEMBL2365324

COCCN(C)c1cnc(-c2cccc(CC3=C(O)C=CN(c4cnn(C)c4)N3)c2)nc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 3/20 0.34
IRAK4 Q9NWZ3 3/20 0.34
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR4 P22455 2/20 0.33
FGFR3 P22607 2/20 0.33
KDR P35968 2/20 0.33
ENPP2 Q13822 1/20 0.32
IGF1R P08069 2/20 0.31
AURKA O14965 1/20 0.30
AURKB Q96GD4 1/20 0.30
INCENP Q9NQS7 1/20 0.30
TPX2 Q9ULW0 1/20 0.30
MET P08581 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
SCHEMBL2365270 0.84 IRAK4 (0.38) IRAK1IRAK4ENPP2MET
SCHEMBL2362158 0.77 IRAK1 (0.36) IRAK1IRAK4
SCHEMBL2265280 0.75 IRAK4 (0.36) IRAK1IRAK4FGFR1FGFR2FGFR4
SCHEMBL2364224 0.70 HCRTR1 (0.37)
SCHEMBL2364584 0.69 CHEK1 (0.33) FGFR1FGFR2FGFR3KDR
SCHEMBL2271726 0.67 ENPP2 (0.34) IRAK1IRAK4ENPP2
SCHEMBL13506534 0.67 FGFR2 (0.37) IRAK1IRAK4FGFR1FGFR2FGFR4
SCHEMBL2365492 0.67 ROCK2 (0.36) FGFR1KDRAURKAAURKBMET
SCHEMBL2223764 0.66 IRAK4 (0.36) IRAK1IRAK4ENPP2IGF1RAURKA
SCHEMBL371056 0.64 PDE10A (0.41) FGFR1FGFR2FGFR4FGFR3KDR

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