SCHEMBL14237296

SCHEMBL14237296

C[C@H](NC(=O)c1cccc(-c2cnc(N)c(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.55
ATR Q13535 12/20 0.54
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
LDHA P00338 1/20 0.44
LDHB P07195 1/20 0.44

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
SCHEMBL3834464 1.00 USP30 (0.55) USP30ATRADORA3ADORA2AADORA2B
SCHEMBL3461713 0.90 ATR (0.59) ATRLDHALDHB
SCHEMBL3461171 0.90 ATR (0.59) ATRLDHALDHB
SCHEMBL3462558 0.88 ATR (0.58) ATRLDHALDHB
SCHEMBL3459637 0.88 ATR (0.58) ATRLDHALDHB
SCHEMBL3462372 0.88 ATR (0.59) USP30ATR
SCHEMBL3460566 0.86 USP30 (0.59) USP30ATR
SCHEMBL3459975 0.86 USP30 (0.55) USP30ATR
SCHEMBL3462051 0.84 ATR (0.53) USP30ATR
SCHEMBL3461200 0.83 ATR (0.54) USP30ATR

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-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP claimed