SCHEMBL15618052

SCHEMBL15618052

Cc1ncoc1Cn1c(=O)c(C#Cc2ncsc2C)cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.34
CDK4 P11802 9/20 0.34
FGFR1 P11362 7/20 0.34
CCNA2 P20248 7/20 0.34
CCND1 P24385 7/20 0.34
CDK2 P24941 7/20 0.34
FGFR2 P21802 6/20 0.34
FGFR4 P22455 6/20 0.34
FGFR3 P22607 6/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL15041604 0.89 CDK4 (0.33) CHEK1CDK4FGFR1CCNA2CCND1
SCHEMBL15258290 0.86 CDK4 (0.33) CHEK1CDK4FGFR1CCNA2CCND1
SCHEMBL15618063 0.82 FLT3 (0.40) CHEK1CDK4FGFR1CCNA2CCND1
SCHEMBL15041893 0.82 FLT3 (0.37) CHEK1CDK4FGFR1CCNA2CCND1
SCHEMBL15036350 0.76 CHEK1 (0.35) CHEK1CDK4FGFR1CCNA2CCND1
SCHEMBL15617439 0.76 CDK4 (0.37) CDK4FGFR1CCNA2CCND1CDK2
SCHEMBL15041900 0.76 CDK4 (0.36) CDK4FGFR1CCNA2CCND1CDK2
SCHEMBL15036421 0.76 CDK4 (0.32) CDK4FGFR1CCNA2CCND1CDK2
SCHEMBL15036218 0.76 AXL (0.35) CHEK1CDK4FGFR1CCNA2CCND1
SCHEMBL15258255 0.76 RIPK2 (0.35) CHEK1CDK4FGFR1CCNA2CCND1

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