SCHEMBL8629028

SCHEMBL8629028

COC[C@H](C)N[C@H]1CC[C@H](Nc2cc(-c3cc(NCC4CCOCC4)cnc3Cl)c(Cl)cn2)CC1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 9/20 0.69
CCNK O75909 7/20 0.69
CCNT1 O60563 14/20 0.65
CDK14 O94921 1/20 0.53
CDK1 P06493 1/20 0.53
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53
CDK5 Q00535 1/20 0.53
CDK16 Q00536 1/20 0.53
CDK17 Q00537 1/20 0.53
CDK18 Q07002 1/20 0.53
DYRK1B Q9Y463 1/20 0.53

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
SCHEMBL8612530 1.00 CDK9 (0.69) CDK9CCNKCCNT1CDK14CDK1
SCHEMBL8612703 0.94 CDK9 (0.60) CDK9CCNKCCNT1CDK14CDK1
SCHEMBL8614334 0.94 CDK9 (0.60) CDK9CCNKCCNT1CDK14CDK1
SCHEMBL8629156 0.92 CDK9 (0.61) CDK9CCNKCCNT1CDK14CDK1
SCHEMBL8627348 0.92 CDK9 (0.61) CDK9CCNKCCNT1CDK14CDK1
SCHEMBL8626354 0.89 CDK9 (0.69) CDK9CCNKCCNT1CDK14CDK1
SCHEMBL8628299 0.89 CDK9 (0.69) CDK9CCNKCCNT1CDK14CDK1
SCHEMBL8798436 0.88 CCNT1 (0.69) CDK9CCNKCCNT1CDK14CDK1
SCHEMBL8797698 0.88 CCNT1 (0.69) CDK9CCNKCCNT1CDK14CDK1
SCHEMBL8626137 0.87 CDK9 (0.57) CDK9CCNKCCNT1CDK14CDK1

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-2012066070-A1 3-(AMINOARYL)-PYRIDINE COMPOUNDS NOVARTIS AG (CH) 2012-05-24 WO disclosed