SCHEMBL22650636

SCHEMBL22650636

COc1nc(-c2nc(Nc3ccc(N4CCN(C)CC4)cn3)ncc2F)cc2c1nc(C)n2C(C)C

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.64
CCND1 P24385 7/20 0.64
CDK6 Q00534 17/20 0.62
EGFR P00533 2/20 0.60
CCND3 P30281 10/20 0.53
CDK1 P06493 8/20 0.53
CCNA2 P20248 7/20 0.53
CDK2 P24941 7/20 0.52
CCNE2 O96020 5/20 0.52
PIM1 P11309 1/20 0.52
CDK7 P50613 2/20 0.51
CDK9 P50750 2/20 0.51
CCNT1 O60563 1/20 0.51
CCNE1 P24864 1/20 0.51
CCNH P51946 1/20 0.51

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
SCHEMBL22650587 0.92 CDK6 (0.62) CDK4CCND1CDK6CCND3CDK1
SCHEMBL22650610 0.89 CDK6 (0.61) CDK4CCND1CDK6EGFRCCND3
SCHEMBL22650584 0.87 CDK6 (0.50) CDK4CCND1CDK6EGFRCCND3
SCHEMBL29936817 0.87 CDK6 (0.50) CDK4CCND1CDK6EGFRCCND3
SCHEMBL22650861 0.87 CDK6 (0.50) CDK4CCND1CDK6EGFRCCND3
SCHEMBL22650512 0.86 CDK6 (0.50) CDK4CCND1CDK6EGFRCCND3
SCHEMBL22650474 0.86 CDK6 (0.51) CDK4CCND1CDK6EGFRCCND3
SCHEMBL22650950 0.86 CDK4 (0.48) CDK4CCND1CDK6EGFRCCND3
SCHEMBL22650957 0.86 CDK6 (0.49) CDK4CCND1CDK6EGFRCCND3
SCHEMBL22650735 0.85 CDK4 (0.48) CDK4CCND1CDK6EGFRCCND3

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