SCHEMBL22984027

SCHEMBL22984027

CC(C)N1CCOc2c(F)cc(-c3nc(Nc4cc(N5CCCN(C(=O)O)CC5)ccn4)ncc3F)cc21

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 19/20 0.69
▸ CDK6 Q00534 19/20 0.69
▸ CSF1R P07333 13/20 0.69
▸ PIK3CD O00329 5/20 0.69
▸ CCNA2 P20248 3/20 0.62
▸ CDK2 P24941 3/20 0.62
▸ CCNK O75909 2/20 0.62
▸ CDK9 P50750 2/20 0.62

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
SCHEMBL29674879 0.91 CDK4 (0.65) CDK4CDK6CSF1RPIK3CDCCNA2
SCHEMBL30198682 0.88 CDK4 (0.68) CDK4CDK6CSF1RPIK3CDCCNA2
SCHEMBL21245535 0.88 CDK4 (0.68) CDK4CDK6CSF1RPIK3CDCCNA2
SCHEMBL29660551 0.86 CDK4 (0.82) CDK4CDK6CSF1RPIK3CDCCNA2
SCHEMBL28735927 0.86 CDK4 (0.82) CDK4CDK6CSF1RPIK3CDCCNA2
SCHEMBL21245608 0.85 CDK4 (0.81) CDK4CDK6CSF1RPIK3CDCCNA2
SCHEMBL30198564 0.85 CDK4 (0.81) CDK4CDK6CSF1RPIK3CDCCNA2
SCHEMBL21245616 0.82 CDK4 (1.00) CDK4CDK6CSF1RPIK3CDCCNA2
SCHEMBL21245865 0.82 CDK4 (0.78) CDK4CDK6CSF1RPIK3CDCCNA2
SCHEMBL21245617 0.81 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013743-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2022-06-22 — — EP disclosed
WO-2021030623-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-02-18 — — WO disclosed
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