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SCHEMBL477128

SCHEMBL477128

Cc1nc2ccc(N3C[C@@H](C)N[C@@H](C)C3)nn2c1-c1ccnc(NC(N)c2cc(-c3c(C)nc4ccc(N5C[C@@H](C)N[C@@H](C)C5)nn34)ccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 6/20 0.44
▸ NMT1 P30419 2/20 0.36
▸ PRKD1 Q15139 4/20 0.33
▸ RIPK3 Q9Y572 1/20 0.31
▸ PRKD2 Q9BZL6 3/20 0.31
▸ EIF2AK4 Q9P2K8 1/20 0.30
▸ HDAC1 Q13547 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
SCHEMBL477088 0.89 CSNK1E (0.46) CSNK1EPRKD1RIPK3PRKD2
SCHEMBL477167 0.85 CSNK1E (0.50) CSNK1ENMT1PRKD1RIPK3EIF2AK4
SCHEMBL477166 0.85 CSNK1E (0.50) CSNK1ENMT1PRKD1RIPK3EIF2AK4
SCHEMBL477071 0.82 CSNK1E (0.52) CSNK1ENMT1RIPK3EIF2AK4
SCHEMBL477069 0.82 CSNK1E (0.52) CSNK1ENMT1RIPK3EIF2AK4
SCHEMBL477051 0.81 CSNK1E (0.49) CSNK1ENMT1RIPK3EIF2AK4HDAC1
SCHEMBL477052 0.81 CSNK1E (0.49) CSNK1ENMT1RIPK3EIF2AK4HDAC1
SCHEMBL477165 0.80 CSNK1E (0.47) CSNK1ENMT1RIPK3EIF2AK4
SCHEMBL477056 0.77 CSNK1E (0.67) CSNK1ERIPK3
SCHEMBL477058 0.77 CSNK1E (0.67) CSNK1ERIPK3

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