SCHEMBL7804203

SCHEMBL7804203

Clc1cccc(Nc2nccc(-c3ccnc(N4CCOCC4)c3)n2)c1.NN1CCOCC1

nearest known ligand 0.91

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMG1 Q96Q15 11/20 0.91
CDK1 P06493 4/20 0.91
CDK2 P24941 4/20 0.91
CAMK2D Q13557 5/20 0.71
MTOR P42345 5/20 0.68
JAK2 O60674 2/20 0.55
CSNK2A1 P68400 1/20 0.55
ABL1 P00519 1/20 0.52
BCR P11274 1/20 0.52
PRKCA P17252 1/20 0.52
PRKCD Q05655 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
SCHEMBL6107663 0.95 SMG1 (1.00) SMG1CDK1CDK2CAMK2DMTOR
SCHEMBL6109641 0.83 SMG1 (0.78) SMG1CDK1CDK2CAMK2DMTOR
SCHEMBL12274500 0.79 CAMK2D (0.81) SMG1CDK1CDK2CAMK2DJAK2
SCHEMBL6608384 0.78 SMG1 (0.69) SMG1CDK1CDK2CAMK2DMTOR
SCHEMBL6093874 0.78 SMG1 (0.69) SMG1CDK1CDK2CAMK2DMTOR
SCHEMBL6095801 0.77 SMG1 (0.68) SMG1CDK1CDK2CAMK2DMTOR
SCHEMBL6109026 0.77 CSNK2A1 (0.69) SMG1CDK1CDK2CAMK2DMTOR
SCHEMBL27580808 0.76 SMG1 (0.66) SMG1CDK1CDK2CAMK2DMTOR
SCHEMBL6093641 0.76 SMG1 (0.66) SMG1CDK1CDK2CAMK2DMTOR
SCHEMBL7811447 0.75 CSNK2A1 (0.72) SMG1CDK1CDK2CAMK2DMTOR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672041-B1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2001-11-14 EP disclosed
EP-0672041-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP disclosed
WO-1995009853-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 WO disclosed