SCHEMBL2956342

SCHEMBL2956342

COc1cc(C2CCN(S(C)(=O)=O)CC2)ccc1-c1nc2c(N)nc(N)nc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.42
PDE7A Q13946 6/20 0.41
CCNT1 O60563 4/20 0.40
CDK9 P50750 4/20 0.40
CARM1 Q86X55 2/20 0.39
PDE7B Q9NP56 3/20 0.39
PDE4D Q08499 1/20 0.39
CDK1 P06493 5/20 0.38
CDK4 P11802 5/20 0.38
CCND1 P24385 5/20 0.38
CDK2 P24941 5/20 0.38
EGFR P00533 1/20 0.36

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
SCHEMBL2946279 0.90 PDE4B (0.46) PDE4BPDE7ACCNT1CDK9PDE7B
SCHEMBL2946218 0.85 CHEK1 (0.47) PDE7ACARM1PDE7B
SCHEMBL2948404 0.83 CARM1 (0.39) CCNT1CDK9CARM1
SCHEMBL2946339 0.81 CARM1 (0.41) CCNT1CDK9CARM1
SCHEMBL2950517 0.79 ADORA2A (0.40) PDE7ACARM1PDE7BPDE4D
SCHEMBL2956345 0.74 PDE4B (0.42) PDE4BCCNT1CDK9CDK1CDK4
SCHEMBL2948866 0.73 PARP1 (0.39) CCNT1CDK9
SCHEMBL2947301 0.73 PDE2A (0.48) EGFR
SCHEMBL17197373 0.73 PDE4B (0.57) PDE4BCCNT1CDK9EGFR
SCHEMBL2953250 0.72 CARM1 (0.40) CARM1

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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed