SCHEMBL1937286

SCHEMBL1937286

Cc1nc2ccc(N3CC[C@]4(CCCNC4)C3)nn2c1-c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 9/20 0.64
ALDH1A1 P00352 5/20 0.48
CYP3A4 P08684 4/20 0.48
HSD17B10 Q99714 4/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 4/20 0.44
CYP2D6 P10635 4/20 0.44
TSHR P16473 1/20 0.44
USP2 O75604 3/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNH2 Q12809 1/20 0.40
RIPK3 Q9Y572 4/20 0.39

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
SCHEMBL477103 1.00 CSNK1E (0.64) CSNK1EALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL477104 1.00 CSNK1E (0.64) CSNK1EALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL477090 0.94 CSNK1E (0.70) CSNK1EALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL3115962 0.84 CSNK1E (0.68) CSNK1EALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL477141 0.84 CSNK1E (0.55) CSNK1EALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL3116565 0.81 CSNK1E (0.68) CSNK1EALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL3123892 0.80 CSNK1E (0.64) CSNK1EALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL477045 0.79 CSNK1E (1.00) CSNK1ERIPK3
SCHEMBL477139 0.79 CSNK1E (0.67) CSNK1ERIPK3
SCHEMBL3119961 0.79 CSNK1E (0.65) 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-A1 2-ALKYL-6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-IB]-PYRIDAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF Sanofi-aventis (FR) 2011-06-15 EP disclosed