SCHEMBL1463040

SCHEMBL1463040

Fc1cc(-c2nc(NCCC3CCOCC3)ccc2Cl)c(Cl)cn1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 18/20 0.55
CDK9 P50750 4/20 0.51
CCNK O75909 1/20 0.51
OPRL1 P41146 1/20 0.39

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
SCHEMBL1192562 0.89 CCNT1 (0.68) CCNT1CDK9CCNK
SCHEMBL1461836 0.88 CCNT1 (0.55) CCNT1CDK9CCNK
SCHEMBL1191988 0.82 CCNT1 (0.59) CCNT1CDK9CCNK
SCHEMBL1192708 0.81 CCNT1 (0.63) CCNT1CDK9CCNK
SCHEMBL1192303 0.80 CDK9 (0.57) CCNT1CDK9CCNK
SCHEMBL12874296 0.80 CDK9 (0.57) CCNT1CDK9CCNK
SCHEMBL12565784 0.78 CCNT1 (0.52) CCNT1CDK9CCNK
SCHEMBL1192372 0.78 CCNK (0.61) CCNT1CDK9CCNK
SCHEMBL1191677 0.77 CCNT1 (0.57) CCNT1CDK9CCNK
SCHEMBL1463037 0.77 CCNT1 (0.44) CCNT1CDK9CCNK

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-2473499-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP disclosed
WO-2011026911-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 WO disclosed