SCHEMBL12101475

SCHEMBL12101475

CC(C)(C)OC(=O)NCC(Cc1ccc(N)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
AAK1 Q2M2I8 1/20 0.44
SYK P43405 1/20 0.44
ATM Q13315 1/20 0.43
CTSS P25774 6/20 0.43
CTSK P43235 5/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
PTPRB P23467 2/20 0.41
ACE P12821 1/20 0.40
IDO1 P14902 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL3825012 0.88 ATM (0.55) MEN1GAAKMT2ASYKATM
SCHEMBL1186455 0.88 ATM (0.55) MEN1GAAKMT2ASYKATM
SCHEMBL825959 0.88 ATM (0.55) MEN1GAAKMT2ASYKATM
SCHEMBL3697318 0.87 CTSS (0.56) MEN1GAAKMT2AAAK1SYK
SCHEMBL2799041 0.87 GAA (0.50) MEN1GAAKMT2ASYKATM
SCHEMBL2799300 0.87 GAA (0.50) MEN1GAAKMT2ASYKATM
SCHEMBL16798329 0.87 CTSS (0.56) MEN1GAAKMT2ASYKATM
SCHEMBL16798417 0.86 LDHA (0.52) MEN1GAAKMT2ASYKITGB3
SCHEMBL16800247 0.85 SYK (0.43) GAAAAK1SYKATMCTSS
SCHEMBL30718545 0.84 CYP17A1 (0.47) MEN1GAAKMT2ASYKATM

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
EP-2242755-B1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-12 EP disclosed