SCHEMBL11946763

SCHEMBL11946763

Cc1cc(-c2ccncc2)cc(Cl)c1Oc1nc(Nc2ccc(N)cc2)nc2nc[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 4/20 0.44
▸ CDK2 P24941 11/20 0.42
▸ CDK1 P06493 7/20 0.39
▸ CCNB1 P14635 7/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ CCNH P51946 1/20 0.39
▸ CCNB2 O95067 5/20 0.38
▸ CCNA2 P20248 5/20 0.38
▸ CCNA1 P78396 5/20 0.38
▸ CCNB3 Q8WWL7 5/20 0.38
▸ BRAF P15056 1/20 0.38
▸ PDPK1 O15530 1/20 0.37

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
SCHEMBL11947245 0.94 POLA1 (0.47) POLA1CDK2CDK1CCNB1CCNT1
SCHEMBL4106873 0.89 CYP2C19 (0.47) POLA1CDK2CDK1CCNB1CCNB2
SCHEMBL11946766 0.86 POLA1 (0.46) POLA1CDK2CDK1CCNB1CCNT1
SCHEMBL11946985 0.85 CDK2 (0.44) POLA1CDK2CDK1CCNB1CCNT1
SCHEMBL4104321 0.82 CYP2C19 (0.43) POLA1CDK2CDK1CCNB1CCNB2
SCHEMBL4098291 0.82 CYP2C19 (0.51) POLA1CDK2CDK1CCNB1CCNB2
SCHEMBL11947230 0.76 MEN1 (0.36) CDK2CCNA2CCNA1
SCHEMBL4110794 0.75 PDPK1 (0.43) POLA1CDK2CDK1CCNB1CCNB2
SCHEMBL13798658 0.75 CYP2C9 (0.39) CDK2CDK1CDK7CDK9BRAF
SCHEMBL13798618 0.74 CDK2 (0.45) POLA1CDK2CDK1CCNB1CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220091-B1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2012-07-25 — — EP disclosed
WO-2009079412-A2 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC. (US) 2009-06-25 — — WO disclosed
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