SCHEMBL477229

SCHEMBL477229

CN1CCN(c2ccc3nc(C(F)(F)F)c(-c4ccncc4)n3n2)CC1.Cc1nc2ccc(N3CCNC(CO)C3)nn2c1-c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 10/20 0.57
RIPK3 Q9Y572 8/20 0.43
HASPIN Q8TF76 1/20 0.39
CSNK1D P48730 1/20 0.35

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
SCHEMBL477030 0.88 CSNK1E (0.70) CSNK1ERIPK3
SCHEMBL476993 0.81 RIPK3 (0.60) CSNK1ERIPK3HASPINCSNK1D
SCHEMBL477085 0.78 CSNK1E (0.76) CSNK1ERIPK3HASPIN
SCHEMBL476996 0.76 CSNK1E (0.74) CSNK1ERIPK3
SCHEMBL477170 0.76 CSNK1E (0.74) CSNK1ERIPK3
SCHEMBL476995 0.76 CSNK1E (0.74) CSNK1ERIPK3
SCHEMBL3119264 0.75 CSNK1E (0.77) CSNK1ERIPK3CSNK1D
SCHEMBL477045 0.74 CSNK1E (1.00) CSNK1ERIPK3HASPIN
SCHEMBL477035 0.69 CSNK1E (0.71) CSNK1ERIPK3HASPIN
SCHEMBL477163 0.69 CSNK1E (0.64) CSNK1ERIPK3HASPIN

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-2331546-B1 2-ALKYL-6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-IB]-PYRIDAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2012-02-01 EP claimed