SCHEMBL6233437

SCHEMBL6233437

CCN1CCCC1CN(CC1CCCCC1)c1nc(NC)nc(Nc2ccc(OC)c(F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 6/20 0.46
GALR2 O43603 6/20 0.42
IMPDH2 P12268 3/20 0.39
CRHR1 P34998 2/20 0.36
DRD2 P14416 3/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL5549889 0.90 GALR1 (0.45) GALR1GALR2CRHR1CDK1CDK4
SCHEMBL5553491 0.86 GALR1 (0.46) GALR1GALR2DRD2CDK1CDK4
SCHEMBL6233417 0.84 GALR1 (0.38) GALR1GALR2CDK1CDK4CCNB1
SCHEMBL5035901 0.83 GALR1 (0.53) GALR1GALR2DRD2CDK1CDK4
SCHEMBL6430132 0.83 GALR1 (0.49) GALR1GALR2DRD2
SCHEMBL6229485 0.82 GALR1 (0.41) GALR1GALR2CRHR1DRD2CDK1
SCHEMBL6429951 0.82 GALR1 (0.42) GALR1GALR2CDK1CDK4CCNB1
SCHEMBL4832720 0.81 GALR1 (0.59) GALR1GALR2DRD2
SCHEMBL5036362 0.81 GALR1 (0.59) GALR1GALR2DRD2
SCHEMBL4829406 0.81 GALR1 (0.59) GALR1GALR2DRD2

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-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed