SCHEMBL3072987

SCHEMBL3072987

COCC(=O)n1c(N)nc2nc[nH]c2c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGMT P16455 4/20 0.45
CDK1 P06493 9/20 0.40
CCNB1 P14635 9/20 0.40
CCNA2 P20248 9/20 0.40
CDK2 P24941 9/20 0.40
CCNA1 P78396 9/20 0.40
PNP P00491 1/20 0.38
DPP4 P27487 1/20 0.36
PIN1 Q13526 2/20 0.36
GDA Q9Y2T3 2/20 0.36
PDE4A P27815 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDPK1 O15530 1/20 0.35

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
SCHEMBL8843878 0.83 PDE4A (0.43) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL5694108 0.83 MEN1 (0.41) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL16401840 0.81 FKBP1A (0.42) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL218669 0.81 MGMT (0.45) MGMTCDK1CCNB1CCNA2CDK2
Bromide SCHEMBL8165615 0.80 MGMT (0.44) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL3072977 0.80 MGMT (0.32) MGMTPDE4AADORA2AADORA2BPDE4B
SCHEMBL6821773 0.79 PNP (0.45) MGMTCDK2PNPDPP4GDA
SCHEMBL5347878 0.79 CDK1 (0.45) MGMTCDK1CCNB1CCNA2CDK2
Benzene SCHEMBL8024450 0.79 MGMT (0.43) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL28368763 0.78 PNP (0.45) MGMTCDK1CCNB1CCNA2CDK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790843-B2 Cypin polypeptide and fragments thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2010-09-07 US disclosed
US-20080182970-A1 Using cypin in assays, diagnostics and treatment of cognitive disorders RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2008-07-31 US disclosed
US-7338769-B2 Methods for identifying agonists of cypin RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2008-03-04 US disclosed
US-20050214822-A1 Using cypin in assays, diagnostics and treatment of cognitive disorders RUTGERS, THE STATE UNIVERSITY OF NEV 2005-09-29 US disclosed