SCHEMBL15618079

SCHEMBL15618079

CN1CCOC(c2ccc(Nc3ncc4cc(C#CC5CCCC5)c(=O)n(Cc5nccnc5S(C)(=O)=O)c4n3)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.38
CCNB1 P14635 5/20 0.38
PIK3CD O00329 1/20 0.38
PRKAB2 O43741 1/20 0.38
NUAK1 O60285 1/20 0.38
CCNT1 O60563 1/20 0.38
ABL1 P00519 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
MARK3 P27448 1/20 0.38
FLT3 P36888 1/20 0.38
CDK7 P50613 1/20 0.38

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
SCHEMBL15258286 0.91 CDK4 (0.39) CDK1CCNB1PIK3CDPRKAB2NUAK1
SCHEMBL15036405 0.89 PIK3CD (0.38) CDK1CCNB1PIK3CDPRKAB2NUAK1
SCHEMBL15617483 0.89 FGFR1 (0.38) CDK1CCNB1PIK3CDPRKAB2NUAK1
SCHEMBL15036213 0.81 PAK4 (0.38) CDK1CCNB1PIK3CDPRKAB2NUAK1
SCHEMBL15036277 0.80 CDK4 (0.39) CDK1CCNB1PIK3CDPRKAB2NUAK1
SCHEMBL15617456 0.80 JAK2 (0.37) CDK1CCNB1PIK3CDPRKAB2NUAK1
SCHEMBL15617432 0.77 JAK2 (0.44) CSF1RFGFR1CDK4CCNA2CCND1
SCHEMBL15258261 0.77 TNK2 (0.37) CDK1CCNB1PIK3CDPRKAB2NUAK1
SCHEMBL15617488 0.76 CCNE1 (0.35) CDK1CCNB1PIK3CDPRKAB2NUAK1
SCHEMBL15618073 0.76 CCNE1 (0.41) CDK1CCNB1PIK3CDPRKAB2NUAK1

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-8680099-B2 6-(ethynyl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-03-25 US disclosed