SCHEMBL13010028

SCHEMBL13010028

Cc1n[nH]c2c1C(=O)c1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 2/20 0.54
CCNE1 P24864 2/20 0.54
CDK2 P24941 2/20 0.54
CDK4 P11802 1/20 0.54
CCND1 P24385 1/20 0.54
RAB9A P51151 3/20 0.44
POLB P06746 2/20 0.44
APAF1 O14727 1/20 0.44
PAX8 Q06710 1/20 0.44
CHEK1 O14757 1/20 0.43
AKT2 P31751 1/20 0.43
MAOB P27338 1/20 0.42
CASP3 P42574 2/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL29404936 0.95 CDK2 (0.49) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL25296388 0.95 CDK2 (0.49) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL9673690 0.80 CCNE2 (0.58) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6749017 0.79 CDK4 (0.52) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL9672281 0.78 MEN1 (0.50) PAX8TDP1CDC25BBLMMEN1
SCHEMBL7090159 0.75 CDK4 (0.71) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6749016 0.73 CDK4 (0.58) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4025522 0.72 CCNE2 (0.71) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7148608 0.71 CDK4 (0.66) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL21970645 0.71 MAOB (0.65) RAB9APOLBAPAF1MAOBCASP3

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-1292573-B1 SUBSTITUTED THIOACETAMIDES CEPHALON INC (US) 2010-12-29 EP disclosed