SCHEMBL15566755

SCHEMBL15566755

NC(=O)c1[nH]nc(C2CCC(F)(F)CC2)c1N

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32
▸ UMPS P11172 1/20 0.32
▸ FFAR2 O15552 1/20 0.31
▸ PDPK1 O15530 1/20 0.30
▸ MAP3K7 O43318 1/20 0.30
▸ TAB1 Q15750 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
SCHEMBL15565941 0.83 UMPS (0.35) UMPSPDPK1
SCHEMBL15565869 0.74 CA12 (0.40) PARP1PARP2FFAR2
SCHEMBL21877671 0.70 FFAR2 (0.34) FFAR2
SCHEMBL31010386 0.68 CCNC (0.38) UMPS
SCHEMBL25429970 0.67 FFAR2 (0.32) FFAR2
SCHEMBL13211644 0.65 PDPK1 (0.45) UMPSPDPK1
SCHEMBL29252887 0.65 KDM1A (0.34) PARP1PARP2
SCHEMBL28976633 0.65 DGAT1 (0.38) PARP1PARP2FFAR2
SCHEMBL28976697 0.65 SCN10A (0.37) PARP1PARP2FFAR2
SCHEMBL30281265 0.64 JAK2 (0.35) PARP1PARP2

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-2014024125-A1 PYRAZOLO[4,3-D]PYRIMIDIN-7(6H)-ONE DERIVATIVES AS PDE9 INHIBITORS CELON PHARMA S.A. (PL) 2014-02-13 — — WO disclosed
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