SCHEMBL28529957

SCHEMBL28529957

Fc1cnc(Nc2ccc(C3CNCCO3)cn2)nc1-c1cc(F)c2c(c1)N(C1CCC1)CCO2

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 20/20 0.67
▸ CDK4 P11802 19/20 0.67
▸ CSF1R P07333 10/20 0.67
▸ CCNA2 P20248 7/20 0.67
▸ CDK2 P24941 7/20 0.67
▸ PIK3CD O00329 5/20 0.67
▸ CCNK O75909 1/20 0.56
▸ CDK7 P50613 1/20 0.56
▸ CDK9 P50750 1/20 0.56
▸ CCNH P51946 1/20 0.56
▸ CDK5 Q00535 1/20 0.56
▸ CDK5R1 Q15078 1/20 0.56

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
SCHEMBL28532392 0.86 CDK4 (0.74) CDK6CDK4CSF1RCCNA2CDK2
SCHEMBL28909627 0.84 CDK4 (0.75) CDK6CDK4CSF1RCCNA2CDK2
SCHEMBL21245841 0.80 CDK4 (1.00) CDK6CDK4CSF1RCCNA2CDK2
SCHEMBL21245690 0.80 CDK4 (1.00) CDK6CDK4CSF1RCCNA2CDK2
SCHEMBL21245533 0.79 CDK4 (1.00) CDK6CDK4CSF1RCCNA2CDK2
SCHEMBL21245666 0.79 CDK4 (1.00) CDK6CDK4CSF1RCCNA2CDK2
SCHEMBL21245673 0.79 CDK4 (0.81) CDK6CDK4CSF1RCCNA2CDK2
SCHEMBL21245895 0.78 CDK4 (1.00) CDK6CDK4CSF1RCCNA2CDK2
SCHEMBL21267058 0.75 CDK4 (0.80) CDK6CDK4CSF1RCCNA2CDK2
SCHEMBL21245709 0.75 CDK4 (0.85) CDK6CDK4CSF1RCCNA2CDK2

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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