SCHEMBL15617439

SCHEMBL15617439

CCc1oncc1Cn1c(=O)c(C#Cc2ncsc2C)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 10/20 0.37
CCND1 P24385 10/20 0.37
FGFR1 P11362 7/20 0.37
CCNA2 P20248 7/20 0.37
FGFR2 P21802 7/20 0.37
FGFR4 P22455 7/20 0.37
FGFR3 P22607 7/20 0.37
CDK2 P24941 7/20 0.37
PAK4 O96013 1/20 0.36
PKN1 Q16512 1/20 0.36
PTK2 Q05397 2/20 0.34
CCND2 P30279 3/20 0.34
CCND3 P30281 3/20 0.34
BTK Q06187 1/20 0.33
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNE1 P24864 1/20 0.33
CCNA1 P78396 1/20 0.33

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
SCHEMBL15259461 0.93 PTK2 (0.37) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15258256 0.82 CDK4 (0.38) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15036223 0.81 PTK2 (0.36) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15041727 0.79 BTK (0.35) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15617485 0.79 CDK4 (0.39) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15036291 0.79 PAK4 (0.37) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15036209 0.78 PTK2 (0.43) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15618063 0.78 FLT3 (0.40) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15041592 0.76 PTK2 (0.39) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15618052 0.76 CHEK1 (0.34) CDK4CCND1FGFR1CCNA2FGFR2

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