SCHEMBL5242425

SCHEMBL5242425

COc1cc(-c2cncc(NC(CO)c3ccccc3)n2)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.72
▸ CDK8 P49336 1/20 0.72
▸ CCNT1 O60563 14/20 0.61
▸ CDK9 P50750 14/20 0.61
▸ CDK2 P24941 4/20 0.60
▸ CSF1R P07333 3/20 0.53
▸ FYN P06241 1/20 0.52
▸ CDK7 P50613 1/20 0.49
▸ LDHA P00338 1/20 0.45
▸ LDHB P07195 1/20 0.45

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
SCHEMBL5242413 1.00 CCNC (0.72) CCNCCDK8CCNT1CDK9CDK2
SCHEMBL12056868 0.92 CCNC (0.61) CCNCCDK8CCNT1CDK9CDK2
SCHEMBL5203867 0.92 CCNC (0.60) CCNCCDK8CCNT1CDK9CDK2
SCHEMBL12698727 0.92 CCNC (0.60) CCNCCDK8CCNT1CDK9CDK2
SCHEMBL24411077 0.90 CCNC (0.58) CCNCCDK8CCNT1CDK9CDK2
SCHEMBL12056826 0.90 CCNC (0.58) CCNCCDK8CCNT1CDK9CDK2
SCHEMBL18286645 0.90 CCNC (0.58) CCNCCDK8CCNT1CDK9CDK2
SCHEMBL12056766 0.90 CCNC (0.58) CCNCCDK8CCNT1CDK9CDK2
SCHEMBL12056843 0.90 CCNC (0.58) CCNCCDK8CCNT1CDK9CDK2
SCHEMBL12056771 0.89 CCNC (0.57) CCNCCDK8CCNT1CDK9CDK2

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-1513821-B1 PROTEIN KINASE INHIBITORS CYTOPIA PTY LTD (AU) 2007-10-31 — — EP disclosed
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