SCHEMBL14243307

SCHEMBL14243307

CC1=CCC(c2cc(N(C)C(=O)OC(C)(C)C)n3nccc3n2)S1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.32
CCNT1 O60563 3/20 0.32
CDK2 P24941 3/20 0.32
CDK9 P50750 3/20 0.32
CCNA1 P78396 3/20 0.32
CDK1 P06493 2/20 0.31
CDK4 P11802 2/20 0.31
CCNA2 P20248 2/20 0.31
CCND1 P24385 2/20 0.31
CCNE1 P24864 2/20 0.31
CDK3 Q00526 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
GPR119 Q8TDV5 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
SCHEMBL14243313 0.88 CCNT1 (0.34) CCNT1CDK2CDK9CCNA1CDK1
SCHEMBL14242903 0.81 CSNK2B (0.32)
SCHEMBL14242524 0.81 CCNT1 (0.34) CCNT1CDK2CDK9CCNA1CDK1
SCHEMBL14242530 0.77 PAX8 (0.37) PAX8IRAK4
SCHEMBL14242529 0.76 PDE10A (0.44) PAX8
SCHEMBL14243308 0.70 CSNK2B (0.31)
SCHEMBL2027726 0.65 PDE10A (0.40) CCNT1CDK2CDK9CCNA1GPR119
SCHEMBL14242607 0.65 USP30 (0.36) CCNT1CDK2CDK9CCNA1CDK1
SCHEMBL17655257 0.64 HTR1D (0.33) CCNT1CDK9GPR119
SCHEMBL21248469 0.64 BRD4 (0.38) PAX8IRAK4

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-2012170827-A2 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2012-12-13 WO disclosed