SCHEMBL17976971

SCHEMBL17976971

CNc1cc(-c2c(-c3ccc(F)cc3)nc3ccc(N4CCC5(CCCNC5)CC4)nn23)ccn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 13/20 0.51
CSNK1D P48730 3/20 0.40
RIPK3 Q9Y572 2/20 0.39
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDC42BPA Q5VT25 1/20 0.37
CDC42BPB Q9Y5S2 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
PIM1 P11309 1/20 0.36

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
SCHEMBL3116829 0.90 CSNK1E (0.53) CSNK1ECSNK1DRIPK3HSD17B10PIM1
SCHEMBL3109345 0.88 CSNK1E (0.51) CSNK1ECSNK1DRIPK3HSD17B10MAPK13
SCHEMBL3124152 0.87 CSNK1E (0.49) CSNK1ECSNK1DRIPK3ROCK2ROCK1
SCHEMBL3119961 0.87 CSNK1E (0.65) CSNK1ECSNK1DRIPK3
SCHEMBL3359820 0.84 CSNK1E (0.53) CSNK1ECSNK1DRIPK3HSD17B10PIM1
SCHEMBL1394151 0.83 CSNK1E (0.44) CSNK1ECSNK1DROCK2ROCK1CDC42BPA
SCHEMBL17976948 0.82 CSNK1E (0.76) CSNK1ECSNK1DRIPK3ADORA2AADORA2B
SCHEMBL3104980 0.82 CSNK1E (0.51) CSNK1ERIPK3HSD17B10
SCHEMBL3113529 0.82 CSNK1E (0.46) CSNK1ERIPK3HSD17B10MAPK13MAPK12
SCHEMBL3115962 0.82 CSNK1E (0.68) CSNK1ECSNK1DRIPK3HSD17B10

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-2170889-B1 6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-08-17 EP claimed
EP-2170889-B1 6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-08-17 EP disclosed