SCHEMBL8798652

SCHEMBL8798652

COC[C@H](C)N[C@H]1CC[C@H](Nc2cc(-c3ccc(F)c(NCC4CCOCC4)c3)c(Cl)cn2)CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 15/20 0.66
CDK9 P50750 8/20 0.65
CCNK O75909 6/20 0.65
CDK14 O94921 1/20 0.52
CDK1 P06493 1/20 0.52
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
CDK5 Q00535 1/20 0.52
CDK16 Q00536 1/20 0.52
CDK17 Q00537 1/20 0.52
CDK18 Q07002 1/20 0.52
DYRK1B Q9Y463 1/20 0.52

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
SCHEMBL8789469 0.94 CCNT1 (0.58) CCNT1CDK9CCNKCDK14CDK1
SCHEMBL8789371 0.94 CCNT1 (0.58) CCNT1CDK9CCNKCDK14CDK1
SCHEMBL8792446 0.93 CCNT1 (0.58) CCNT1CDK9CCNKCDK14CDK1
SCHEMBL8792449 0.93 CCNT1 (0.58) CCNT1CDK9CCNKCDK14CDK1
SCHEMBL8626359 0.90 CDK9 (0.66) CCNT1CDK9CCNKCDK14CDK1
SCHEMBL8629029 0.90 CDK9 (0.66) CCNT1CDK9CCNKCDK14CDK1
SCHEMBL8592838 0.88 CDK9 (0.68) CCNT1CDK9CCNKCDK14CDK1
SCHEMBL8594514 0.88 CDK9 (0.68) CCNT1CDK9CCNKCDK14CDK1
SCHEMBL8788491 0.88 CDK9 (0.56) CCNT1CDK9CCNKCDK14CDK1
SCHEMBL8789384 0.88 CDK9 (0.56) CCNT1CDK9CCNKCDK14CDK1

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-2012066065-A1 PHENYL-HETEROARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-05-24 WO disclosed