SCHEMBL6805849

SCHEMBL6805849

CC(C)(C)OC(=O)CC(NC(=O)OCc1ccccc1)n1cnc2c(Cl)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
JAK2 O60674 1/20 0.38
CDK2 P24941 2/20 0.37
CCNE2 O96020 1/20 0.37
CCNA2 P20248 1/20 0.37
CCNE1 P24864 1/20 0.37
CCNA1 P78396 1/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.37
KLK7 P49862 1/20 0.37
KLK5 Q9Y337 1/20 0.37
FGFR1 P11362 2/20 0.36
FGFR4 P22455 2/20 0.36
PPARA Q07869 2/20 0.36
POLB P06746 1/20 0.36
CTSK P43235 2/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36

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
SCHEMBL6805979 0.83 CNR1 (0.41) SYKMAPTKLK7KLK5
SCHEMBL6805722 0.82 BTK (0.41) SYKCDK2CCNA2MAPTKLK7
SCHEMBL6810547 0.82 ITGB3 (0.40) SYKCDK2CCNE2CCNA2CCNE1
SCHEMBL6807305 0.81 SYK (0.36) SYKJAK2KLK7KLK5
SCHEMBL6016455 0.80 HDAC6 (0.43) SYKMAPTFGFR1FGFR4PPARA
SCHEMBL6016459 0.80 HDAC6 (0.43) SYKMAPTFGFR1FGFR4PPARA
SCHEMBL6807065 0.80 CDK1 (0.45) SYKCDK2CCNE2CCNA2CCNE1
SCHEMBL6804208 0.78 CDK1 (0.49) SYKCDK2CCNE2CCNA2CCNE1
SCHEMBL6806785 0.78 ITGB3 (0.51)
SCHEMBL7060984 0.78 MAPT (0.37) SYKJAK2MAPT

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-6723727-B1 VITRONECTIN RECEPTOR ANTAGONISTS; INHIBITORS OF BONE RESORPTION; OSTEOPOROSIS HOECHST AKTIENGESELLSCHAFT (DE) 2004-04-20 US disclosed