SCHEMBL27880989

SCHEMBL27880989

CNc1nn(NC)c(NC)c1-c1cc(C(=O)c2nc3ccc(C(=N)CC(C)N)nc3[nH]2)ccc1C#N

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.36
▸ CCND1 P24385 2/20 0.36
▸ CCND3 P30281 2/20 0.36
▸ CDK6 Q00534 2/20 0.36
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32

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
SCHEMBL27897995 0.78 CDK4 (0.57) CDK4CCND1CCND3CDK6CDK1
SCHEMBL27897994 0.76 CDK4 (0.37) CDK4CCND1CCND3CDK6CDK1
SCHEMBL27880988 0.74 CDK4 (0.39) CDK4CCND1CCND3CDK6CDK1
SCHEMBL27880987 0.63 CDK4 (0.52) CDK4CCND1CCND3CDK6CDK1
SCHEMBL111573 0.63 CDK4 (0.80) CDK4CCND1CCND3CDK6CDK1
SCHEMBL2143455 0.62 CDK4 (0.51) CDK4CCND1CCND3CDK6CDK1
SCHEMBL111458 0.62 CDK4 (0.58) CDK4CCND1CCND3CDK6CDK1
SCHEMBL111484 0.62 CDK4 (0.62) CDK4CCND1CCND3CDK6CDK1
SCHEMBL108753 0.61 CDK4 (0.57) CDK4CCND1CCND3CDK6CDK1
SCHEMBL111309 0.60 CDK4 (0.61) CDK4CCND1CCND3CDK6CDK1

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
CN-102803225-A Imidazole derivatives and their use as modulators of cyclin dependent kinases NOVARTIS AG 2012-11-28 — — CN claimed
CN-102803225-A Imidazole derivatives and their use as modulators of cyclin dependent kinases NOVARTIS AG 2012-11-28 — — CN disclosed
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