SCHEMBL4028223

SCHEMBL4028223

CC(=O)c1cnc(C)n1C(C)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.33
KCNH2 Q12809 1/20 0.33
TGFBR1 P36897 1/20 0.33
TGFBR2 P37173 1/20 0.33
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
CDK1 P06493 1/20 0.30
PIK3CG P48736 3/20 0.30
PIK3CD O00329 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL279078 0.80 KCNH2 (0.35) CDK2KCNH2CCNT1CDK9POLB
SCHEMBL4022591 0.77 CDK2 (0.36) CDK2KCNH2TGFBR1TGFBR2ATM
SCHEMBL1713226 0.71 ALDH1A1 (0.46) MAPK1
SCHEMBL1713315 0.70 NOTUM (0.38) CDK2MAPK1
SCHEMBL1447556 0.70 CDK2 (0.40) CDK2
SCHEMBL1447759 0.68 CDK2 (0.40) CDK2CCNT1CDK9SMN1; SMN2CDK1
SCHEMBL4031026 0.68 CDK2 (0.37) CDK2CCNT1CDK9CDK1PIK3CA
SCHEMBL4243666 0.67 GAA (0.41) CDK2SMN1; SMN2MAPK1PIK3CA
SCHEMBL4026878 0.67 NOTUM (0.42) CDK2MAPK1ATM
SCHEMBL1204351 0.66 ALDH1A1 (0.36) POLBSMN1; SMN2MAPK1ATM

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-1485375-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-06-17 EP disclosed