SCHEMBL28534972

SCHEMBL28534972

CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc(N5CCN(C(=O)O)C(C(C)(C)C)C5)cn4)ncc3F)cc21

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 19/20 0.75
▸ CDK6 Q00534 19/20 0.75
▸ CSF1R P07333 10/20 0.75
▸ PIK3CD O00329 3/20 0.75
▸ CCNA2 P20248 5/20 0.72
▸ CDK2 P24941 5/20 0.72
▸ CCNK O75909 3/20 0.72
▸ CDK9 P50750 3/20 0.72
▸ CDK7 P50613 1/20 0.69
▸ CCNH P51946 1/20 0.69
▸ CDK5 Q00535 1/20 0.69
▸ CDK5R1 Q15078 1/20 0.69

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
SCHEMBL28536128 0.88 CDK4 (0.72) CDK4CDK6CSF1RPIK3CDCCNA2
SCHEMBL21245785 0.87 CDK4 (0.71) CDK4CDK6CSF1RPIK3CDCCNA2
SCHEMBL21245616 0.86 CDK4 (1.00) CDK4CDK6CSF1RPIK3CDCCNA2
SCHEMBL21245828 0.85 CDK4 (0.93) CDK4CDK6CSF1RPIK3CDCCNA2
SCHEMBL21245528 0.85 CDK4 (0.82) CDK4CDK6CSF1RPIK3CDCCNA2
SCHEMBL21245731 0.85 CDK4 (0.81) CDK4CDK6CSF1RPIK3CDCCNA2
SCHEMBL28536123 0.85 CDK4 (0.70) CDK4CDK6CSF1RPIK3CDCCNA2
SCHEMBL21245617 0.84 CDK4 (1.00) CDK4CDK6CSF1RPIK3CDCCNA2
SCHEMBL21245570 0.84 CDK4 (1.00) CDK4CDK6CSF1RPIK3CDCCNA2
SCHEMBL21245704 0.84 CDK4 (1.00) CDK4CDK6CSF1RPIK3CDCCNA2

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
CN-112334451-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2021-02-05 — — CN disclosed
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