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SCHEMBL163560

SCHEMBL163560

CN(C)C1CCN(c2ccc3nc(C(=O)c4ccnc(-c5cncc6ccccc56)c4)[nH]c3n2)CC1.Cc1nn(C)c(C)c1-c1cc(C(=O)c2nc3ccc(N4CCC(N(C)C)CC4)nc3[nH]2)ccn1.O=C(c1ccnc(-c2cncc3ccccc23)c1)c1nc2cnc(N3CCCNCC3)nc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 6/20 0.56
▸ CCND1 P24385 6/20 0.56
▸ CCND3 P30281 5/20 0.56
▸ CDK6 Q00534 5/20 0.56
▸ CCNA2 P20248 3/20 0.56
▸ CDK2 P24941 3/20 0.56
▸ CCNA1 P78396 3/20 0.56
▸ CDK1 P06493 3/20 0.55
▸ CCNB1 P14635 3/20 0.55
▸ NMT1 P30419 1/20 0.31

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
SCHEMBL112651 0.83 CDK4 (0.74) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL114117 0.83 CDK4 (0.78) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL111464 0.82 CDK4 (0.53) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL112177 0.82 CDK4 (0.75) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL110190 0.82 CDK4 (0.57) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL112120 0.81 CDK4 (0.55) CDK4CCND1CCND3CDK6CDK1
SCHEMBL2142259 0.80 CDK4 (0.59) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL28799660 0.74 CDK4 (0.62) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL110043 0.74 CDK4 (0.60) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL10268248 0.74 CDK4 (0.62) CDK4CCND1CCND3CDK6CCNA2

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-2424843-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES Novartis AG (CH) 2012-03-07 — — EP claimed