SCHEMBL22860487

SCHEMBL22860487

CN1CCC(c2ccc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)cc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.78
CDK4 P11802 13/20 0.78
CCND1 P24385 13/20 0.78
CCNA2 P20248 12/20 0.78
FGFR1 P11362 9/20 0.78
CCNE1 P24864 4/20 0.78
NUAK1 O60285 3/20 0.78
CDK1 P06493 3/20 0.78
CCNB1 P14635 2/20 0.78
CSF1R P07333 2/20 0.78
CDK6 Q00534 2/20 0.78
PIK3CD O00329 1/20 0.78
PRKAB2 O43741 1/20 0.78
CCNT1 O60563 1/20 0.78
ABL1 P00519 1/20 0.78
FYN P06241 1/20 0.78
RET P07949 1/20 0.78
PDGFRB P09619 1/20 0.78
MARK3 P27448 1/20 0.78
FLT3 P36888 1/20 0.78

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
SCHEMBL29507757 1.00 CDK2 (0.78) CDK2CDK4CCND1CCNA2FGFR1
SCHEMBL22860474 0.89 CDK4 (0.66) CDK2CDK4CCND1CCNA2FGFR1
SCHEMBL29507861 0.89 CDK4 (0.66) CDK2CDK4CCND1CCNA2FGFR1
Narazaciclib SCHEMBL10050883 0.88 CDK4 (1.00) CDK2CDK4CCND1CCNA2FGFR1
Narazaciclib SCHEMBL30418763 0.88 CDK4 (1.00) CDK2CDK4CCND1CCNA2FGFR1
SCHEMBL22860236 0.88 CDK4 (0.70) CDK2CDK4CCND1CCNA2FGFR1
SCHEMBL29507749 0.88 CDK4 (0.70) CDK2CDK4CCND1CCNA2FGFR1
SCHEMBL22860447 0.87 CDK2 (0.75) CDK2CDK4CCND1CCNA2FGFR1
SCHEMBL24618846 0.87 CDK4 (0.92) CDK2CDK4CCND1CCNA2FGFR1
Narazaciclib SCHEMBL14955407 0.87 CDK4 (0.98) CDK2CDK4CCND1CCNA2FGFR1

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-2021003314-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-01-07 WO disclosed