SCHEMBL12426795

SCHEMBL12426795

CC(C)(C)OC(=O)N1CCCC2(CC1)CN(c1ccc(N=O)nc1)C(=O)O2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 10/20 0.39
CDK4 P11802 2/20 0.39
GPR119 Q8TDV5 1/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
USP30 Q70CQ3 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
POLB P06746 1/20 0.35
NPY5R Q15761 1/20 0.34

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
SCHEMBL12425398 0.94 CDK4 (0.38) SSTR5CDK4CKS1BSKP1SKP2
SCHEMBL2302078 0.88 SSTR5 (0.41) SSTR5CDK4GPR119USP30HRH3
SCHEMBL15034384 0.88 SSTR5 (0.43) SSTR5CDK4GPR119
SCHEMBL2302084 0.88 SSTR5 (0.41) SSTR5CDK4GPR119USP30HRH3
SCHEMBL2304087 0.88 SSTR5 (0.41) SSTR5CDK4GPR119USP30HRH3
SCHEMBL2301340 0.84 MAPT (0.42) SSTR5CDK4GPR119POLB
SCHEMBL2302041 0.84 SSTR5 (0.43) SSTR5GPR119USP30NPY5R
SCHEMBL2301254 0.81 CDK4 (0.39) SSTR5CDK4USP30
SCHEMBL2301251 0.81 CDK4 (0.39) SSTR5CDK4USP30
SCHEMBL2305887 0.81 CDK4 (0.39) SSTR5CDK4USP30

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
WO-2011101409-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2011-08-25 WO disclosed