SCHEMBL29507978

SCHEMBL29507978

CC1CCN(c2ccc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)cc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.84
CCND1 P24385 18/20 0.84
CCNA2 P20248 17/20 0.84
CDK2 P24941 17/20 0.84
FGFR1 P11362 11/20 0.84
CCNE1 P24864 6/20 0.84
CDK1 P06493 5/20 0.84
CCNB1 P14635 5/20 0.84
NUAK1 O60285 3/20 0.84
PIK3CD O00329 1/20 0.84
PRKAB2 O43741 1/20 0.84
CCNT1 O60563 1/20 0.84
ABL1 P00519 1/20 0.84
FYN P06241 1/20 0.84
CSF1R P07333 1/20 0.84
RET P07949 1/20 0.84
PDGFRB P09619 1/20 0.84
MARK3 P27448 1/20 0.84
FLT3 P36888 1/20 0.84
CDK7 P50613 1/20 0.84

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
SCHEMBL22860031 1.00 CDK4 (0.84) CDK4CCND1CCNA2CDK2FGFR1
Narazaciclib SCHEMBL10050883 0.91 CDK4 (1.00) CDK4CCND1CCNA2CDK2FGFR1
Narazaciclib SCHEMBL30418763 0.91 CDK4 (1.00) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL24618846 0.90 CDK4 (0.92) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL14955943 0.90 CDK4 (0.98) CDK4CCND1CCNA2CDK2FGFR1
Narazaciclib SCHEMBL14955407 0.90 CDK4 (0.98) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL10050960 0.90 CDK4 (0.82) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL22860695 0.90 CDK4 (0.87) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL22860493 0.90 CDK4 (0.87) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL24618817 0.90 CDK4 (0.68) CDK4CCND1CCNA2CDK2FGFR1

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-3993802-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2022-05-11 EP disclosed
CN-114340634-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2022-04-12 CN disclosed