SCHEMBL371056

SCHEMBL371056

Cc1ccc2cc(OCC3=C(O)C=CN(c4cnn(C)c4)N3)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
MIF P14174 7/20 0.33
FGFR1 P11362 4/20 0.32
FGFR2 P21802 4/20 0.32
FGFR4 P22455 4/20 0.32
FGFR3 P22607 4/20 0.32
KDR P35968 4/20 0.32
MAOB P27338 2/20 0.32
PPARG P37231 1/20 0.32
SCN7A Q01118 1/20 0.31
KCNH2 Q12809 1/20 0.31
NCF1 P14598 3/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL361506 0.70 PDE10A (0.42) PDE10AMIFFGFR1FGFR2FGFR4
SCHEMBL371227 0.67 MET (0.43) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL371060 0.64 MET (0.44) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL2365324 0.64 IRAK1 (0.34) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL2365270 0.64 IRAK4 (0.38)
SCHEMBL9694076 0.62 KDM4E (0.54) NCF1
SCHEMBL19066027 0.60 CYP1A2 (0.50) PDE10AMAOBNCF1
SCHEMBL21704647 0.59 SLC6A2 (0.49) PDE10AKCNH2
SCHEMBL19066016 0.59 MAPT (0.58) MAOBNCF1
SCHEMBL255618 0.58 PDE10A (0.38) PDE10AFGFR1FGFR2FGFR4FGFR3

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-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP claimed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO claimed