SCHEMBL456788

SCHEMBL456788

O=C(O)N(CCC(F)(F)F)c1cc(NC2CCCC2)nn2ccnc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
FLT3 P36888 1/20 0.35
TYK2 P29597 1/20 0.34
IRAK4 Q9NWZ3 6/20 0.33
MAPK14 Q16539 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
HCAR3 P49019 2/20 0.33
TTK P33981 1/20 0.32
HCRTR2 O43614 1/20 0.32
KCNQ3 O43525 6/20 0.32
KCNQ2 O43526 6/20 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
SCHEMBL17425406 0.88 IRAK4 (0.34) CCNE1CDK2FLT3TYK2IRAK4
SCHEMBL455869 0.82 TYK2 (0.41) CCNE1CDK2FLT3TYK2IRAK4
SCHEMBL470189 0.75 CCNE1 (0.42) CCNE1CDK2FLT3TYK2IRAK4
SCHEMBL17416356 0.74 TTK (0.59) TTK
SCHEMBL17425405 0.72 JAK2 (0.32) JAK2JAK3
SCHEMBL12986075 0.67 L3MBTL1 (0.42) HCRTR2
SCHEMBL458866 0.66 SSTR4 (0.33) HCRTR2
SCHEMBL3022172 0.66 CCNE1 (0.43) CCNE1CDK2FLT3TYK2IRAK4
SCHEMBL3022176 0.66 CCNE1 (0.43) CCNE1CDK2FLT3TYK2IRAK4
SCHEMBL140708 0.65 TTK (0.37) FLT3TYK2IRAK4TTK

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-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed