SCHEMBL16622958

SCHEMBL16622958

CCSc1nccnc1-c1nc2cc(C(F)(F)F)cnc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ CCNB2 O95067 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CCNB3 Q8WWL7 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ FGFR2 P21802 1/20 0.31
▸ FGFR3 P22607 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ AGBL2 Q5U5Z8 1/20 0.30
▸ AURKA O14965 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
SCHEMBL25886583 0.79 POLB (0.31) POLBMAPK14FGFR2FGFR3
SCHEMBL20936363 0.79 POLB (0.31) KDM4EALDH1A1SMN1; SMN2POLBMAPK14
SCHEMBL30989615 0.79 POLB (0.31) POLBMAPK14FGFR2FGFR3
SCHEMBL15412441 0.76 ALOX5AP (0.35) KDM4ENPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL10281005 0.76 ALOX5AP (0.43) KDM4ENPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL20708672 0.74 DDR1 (0.37) KDM4ENPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL16611998 0.74 POLB (0.53) POLBMAPK14KMT2AAGBL2
SCHEMBL20708642 0.72 POLB (0.30) POLB
SCHEMBL20936362 0.71 LMNA (0.31) —
SCHEMBL14347230 0.70 PDE2A (0.39) KDM4ESMN1; SMN2POLBCCNB2CDK1

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
EP-2857397-A1 FUSED HETEROCYCLIC COMPOUND Sumitomo Chemical Company Limited (JP) 2015-04-08 — — EP disclosed
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