SCHEMBL22650928

SCHEMBL22650928

O=C1CCNCCN1c1ccc(Nc2ncc(F)c(-c3ccn4ncc(C5CC5)c4c3)n2)nc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 17/20 0.50
CDK4 P11802 15/20 0.50
CCND3 P30281 12/20 0.50
CCNA2 P20248 9/20 0.50
CCND1 P24385 9/20 0.50
CCNT1 O60563 5/20 0.50
CDK2 P24941 5/20 0.50
CDK9 P50750 5/20 0.50
CDK7 P50613 4/20 0.50
CCNH P51946 4/20 0.50
MNAT1 P51948 4/20 0.50
CDK1 P06493 4/20 0.49
PIM1 P11309 2/20 0.49
PIM3 Q86V86 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
SCHEMBL22650486 0.87 CDK6 (0.54) CDK6CDK4CCND3CCNA2CCND1
SCHEMBL29491147 0.87 CDK6 (0.54) CDK6CDK4CCND3CCNA2CCND1
SCHEMBL22650467 0.84 CDK4 (0.49) CDK6CDK4CCND3CCNA2CCND1
SCHEMBL22650471 0.84 CDK4 (0.46) CDK6CDK4CCND3CCNA2CCND1
SCHEMBL22650945 0.81 CDK6 (0.60) CDK6CDK4CCND3CCNA2CCND1
SCHEMBL22650926 0.77 CDK4 (0.48) CDK6CDK4CCND3CCNA2CCND1
SCHEMBL22650931 0.77 CDK4 (0.48) CDK6CDK4CCND3CCNA2CCND1
SCHEMBL22650845 0.77 CDK6 (0.48) CDK6CDK4CCND3CCNA2CCND1
SCHEMBL22650462 0.77 CDK6 (0.46) CDK6CDK4CCND3CCNA2CCND1
SCHEMBL22650490 0.77 CDK6 (0.55) CDK6CDK4CCND3CCNA2CCND1

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-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed