SCHEMBL8788491

SCHEMBL8788491

COC[C@H](C)N[C@H]1CC[C@H](Nc2cc(-c3ccc(F)c(NCC4(F)CCOCC4)c3)c(Cl)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 16/20 0.56
CCNT1 O60563 16/20 0.56
CCNK O75909 5/20 0.56
CDK14 O94921 2/20 0.56
CDK1 P06493 2/20 0.56
CCNA2 P20248 2/20 0.56
CDK2 P24941 2/20 0.56
CDK5 Q00535 2/20 0.56
CDK16 Q00536 2/20 0.56
CDK17 Q00537 1/20 0.56
CDK18 Q07002 1/20 0.56
DYRK1B Q9Y463 1/20 0.56
CCNB1 P14635 1/20 0.41
CDK7 P50613 1/20 0.41
CCNH P51946 1/20 0.41
MNAT1 P51948 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNY Q8ND76 1/20 0.41

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
SCHEMBL8789384 1.00 CDK9 (0.56) CDK9CCNT1CCNKCDK14CDK1
SCHEMBL8794040 0.95 CDK9 (0.51) CDK9CCNT1CCNKCDK14CDK1
SCHEMBL8793264 0.95 CDK9 (0.51) CDK9CCNT1CCNKCDK14CDK1
SCHEMBL8798370 0.93 CCNT1 (0.49) CDK9CCNT1CCNKCDK14CDK1
SCHEMBL8798781 0.93 CCNT1 (0.49) CDK9CCNT1CCNKCDK14CDK1
SCHEMBL8786865 0.93 CDK9 (0.56) CDK9CCNT1CCNKCDK14CDK1
SCHEMBL8786860 0.93 CDK9 (0.56) CDK9CCNT1CCNKCDK14CDK1
SCHEMBL8789545 0.92 CDK9 (0.56) CDK9CCNT1CCNKCDK14CDK1
SCHEMBL8789593 0.92 CDK9 (0.56) CDK9CCNT1CCNKCDK14CDK1
SCHEMBL8781455 0.92 CDK9 (0.56) CDK9CCNT1CCNKCDK14CDK1

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