SCHEMBL490811

SCHEMBL490811

FC(F)(F)c1ccc(-c2cc3nccnc3[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 18/20 1.00
CDK1 P06493 18/20 1.00
CCNB1 P14635 18/20 1.00
CCNB3 Q8WWL7 18/20 1.00
GSK3B P49841 16/20 1.00
GSK3A P49840 12/20 1.00
CDK5 Q00535 11/20 0.69
CDK5R1 Q15078 11/20 0.69
FGFR2 P21802 1/20 0.48
FGFR3 P22607 1/20 0.48
NPY5R Q15761 1/20 0.47

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
SCHEMBL1778521 0.84 CCNB2 (0.72) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL29913067 0.81 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL491029 0.81 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1779137 0.81 CDK1 (0.68) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1780235 0.81 CCNB2 (0.73) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1779559 0.80 CCNB2 (0.67) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL491112 0.78 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1779349 0.78 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL489971 0.78 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL491100 0.78 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B

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
US-8106050-B2 6-[1-(4-Chlorophenyl)-1-cyclopropyl][5H]pyrrolo[2,3-b]pyrazine; cyclin-dependent kinases and glycogen synthase kinase-3 inhibitor; antiproliferative, anticarcinogenic agent; neurodegenerative disorders; controlling the cell cycle apoptosis, neuronal functions, transcription and exocytosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2012-01-31 US disclosed