SCHEMBL29507838

SCHEMBL29507838

N#Cc1cc2cnc(Nc3ccc(N4CCC(O)CC4)c(F)c3)nc2n(C2CCCC2)c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 17/20 0.63
▸ CCND1 P24385 16/20 0.63
▸ CDK2 P24941 11/20 0.63
▸ CCNA2 P20248 10/20 0.63
▸ FGFR1 P11362 8/20 0.63
▸ NUAK1 O60285 3/20 0.63
▸ CDK1 P06493 2/20 0.63
▸ CCNB1 P14635 2/20 0.63
▸ CCNE1 P24864 2/20 0.63
▸ CSF1R P07333 2/20 0.63
▸ CDK6 Q00534 2/20 0.63
▸ CCNT1 O60563 2/20 0.63
▸ CDK9 P50750 2/20 0.63
▸ PIK3CD O00329 1/20 0.63
▸ PRKAB2 O43741 1/20 0.63
▸ ABL1 P00519 1/20 0.63
▸ FYN P06241 1/20 0.63
▸ RET P07949 1/20 0.63
▸ PDGFRB P09619 1/20 0.63
▸ MARK3 P27448 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
SCHEMBL22860486 1.00 CDK4 (0.63) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL22165073 0.90 CDK4 (0.65) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL22164819 0.90 CDK4 (0.65) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL29507767 0.90 CDK4 (0.65) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL29507850 0.90 CDK4 (0.78) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL22164902 0.90 CDK4 (0.78) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL29507837 0.90 CDK4 (0.63) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL22860387 0.90 CDK4 (0.63) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL22165064 0.88 CDK4 (0.63) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL22164925 0.88 CDK4 (0.70) CDK4CCND1CDK2CCNA2FGFR1

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
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