SCHEMBL470189

SCHEMBL470189

FC(F)(F)CCNc1cc(NC2CCCC2)nn2ccnc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
FLT3 P36888 1/20 0.42
TTK P33981 6/20 0.38
IRAK4 Q9NWZ3 5/20 0.35
TYK2 P29597 1/20 0.35
SYK P43405 5/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL463124 0.79 TTK (0.35) TTKSYK
SCHEMBL470186 0.78 TYK2 (0.45) CCNE1CDK2FLT3TTKTYK2
SCHEMBL457296 0.76 TRPM5 (0.32) TTKSYK
SCHEMBL456788 0.75 CCNE1 (0.35) CCNE1CDK2FLT3TTKIRAK4
SCHEMBL15084636 0.73 CCNE1 (0.57) CCNE1CDK2FLT3TYK2SYK
SCHEMBL5461682 0.72 CDK2 (0.56) CCNE1CDK2FLT3TTK
SCHEMBL13213694 0.71 CDK2 (0.60) CCNE1CDK2FLT3IRAK4TYK2
SCHEMBL3021286 0.71 CDK2 (0.60) CCNE1CDK2FLT3IRAK4TYK2
SCHEMBL17425406 0.70 IRAK4 (0.34) CCNE1CDK2FLT3TTKIRAK4
SCHEMBL456487 0.70 TTK (0.52) TTK

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-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed