SCHEMBL2364584

SCHEMBL2364584

CCOc1cnc(-c2cccc(CC3=C(O)C=CN(c4cn[nH]c4)N3)c2)nc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.33
CHEK2 O96017 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
FGFR3 P22607 2/20 0.31
KDR P35968 1/20 0.31
BRD4 O60885 1/20 0.31
CCL2 P13500 1/20 0.31
FYN P06241 1/20 0.31
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
DHFR P00374 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
SCHEMBL2364224 0.75 HCRTR1 (0.37)
SCHEMBL2365270 0.73 IRAK4 (0.38) FYN
SCHEMBL2221788 0.72 MET (0.34) CYP4F2CYP4A11FGFR3KDRBRD4
SCHEMBL2365324 0.69 IRAK1 (0.34) FGFR3KDRFGFR1FGFR2
SCHEMBL22309842 0.69 S1PR1 (0.52) CHEK1CHEK2FGFR3KDRFYN
SCHEMBL2362158 0.67 IRAK1 (0.36)
SCHEMBL24081446 0.66 RXRA (0.38) FGFR3KDRBRD4FGFR1FGFR2
SCHEMBL2222925 0.66 FYN (0.53) FGFR3KDRFYNCNR1CNR2
SCHEMBL2220774 0.63 ENPP2 (0.34) FGFR3KDRBRD4CCL2FGFR2
SCHEMBL2271552 0.63 HSD17B13 (0.38) CHEK1CHEK2CYP4F2CYP4A11

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
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed