SCHEMBL22860387

SCHEMBL22860387

CN(C)C1CCN(c2ccc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)cc2F)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 9/20 0.63
▸ CDK6 Q00534 6/20 0.63
▸ CDK2 P24941 6/20 0.63
▸ PIK3CD O00329 5/20 0.63
▸ CSF1R P07333 5/20 0.63
▸ CCNA2 P20248 5/20 0.63
▸ CCND1 P24385 4/20 0.63
▸ NUAK1 O60285 3/20 0.63
▸ FGFR1 P11362 3/20 0.63
▸ CDK1 P06493 2/20 0.63
▸ CDK7 P50613 2/20 0.63
▸ CDK9 P50750 2/20 0.63
▸ CCNH P51946 2/20 0.63
▸ CDK5 Q00535 2/20 0.63
▸ CDK5R1 Q15078 2/20 0.63
▸ PRKAB2 O43741 1/20 0.63
▸ CCNT1 O60563 1/20 0.63
▸ ABL1 P00519 1/20 0.63
▸ FYN P06241 1/20 0.63
▸ RET P07949 1/20 0.63

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
SCHEMBL29507837 1.00 CDK4 (0.63) CDK4CDK6CDK2PIK3CDCSF1R
SCHEMBL22164826 0.95 CDK4 (0.61) CDK4CDK6CDK2PIK3CDCSF1R
SCHEMBL22164823 0.95 CDK4 (0.61) CDK4CDK6CDK2PIK3CDCSF1R
SCHEMBL22164902 0.90 CDK4 (0.78) CDK4CDK6CDK2PIK3CDCSF1R
SCHEMBL29507850 0.90 CDK4 (0.78) CDK4CDK6CDK2PIK3CDCSF1R
SCHEMBL29507838 0.90 CDK4 (0.63) CDK4CDK6CDK2PIK3CDCSF1R
SCHEMBL22860486 0.90 CDK4 (0.63) CDK4CDK6CDK2PIK3CDCSF1R
SCHEMBL22164819 0.88 CDK4 (0.65) CDK4CDK6CDK2PIK3CDCSF1R
SCHEMBL22165073 0.88 CDK4 (0.65) CDK4CDK6CDK2PIK3CDCSF1R
SCHEMBL29507767 0.88 CDK4 (0.65) CDK4CDK6CDK2PIK3CDCSF1R

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
CN-114340634-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2022-04-12 — — CN disclosed
WO-2021003314-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-01-07 — — WO disclosed
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