SCHEMBL1439752

SCHEMBL1439752

O=C(Nc1cc(-c2cc(NCC3CCOCC3)ccc2F)c(Cl)cn1)C1CCCNC1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 19/20 0.76
CCNT1 O60563 4/20 0.76

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
SCHEMBL1439854 1.00 CDK9 (0.76) CDK9CCNT1
SCHEMBL10242743 0.94 CDK9 (0.71) CDK9CCNT1
SCHEMBL10241829 0.94 CDK9 (0.70) CDK9CCNT1
SCHEMBL10242094 0.92 CDK9 (0.64) CDK9CCNT1
SCHEMBL10242734 0.92 CDK9 (0.64) CDK9CCNT1
SCHEMBL10241781 0.91 CDK9 (0.67) CDK9CCNT1
SCHEMBL12501742 0.90 CDK9 (0.74) CDK9CCNT1
SCHEMBL10242723 0.89 CDK9 (0.66) CDK9CCNT1
SCHEMBL1464121 0.88 CDK9 (0.77) CDK9CCNT1
SCHEMBL1462711 0.88 CDK9 (0.77) CDK9CCNT1

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-2011026917-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-10 WO disclosed