SCHEMBL6608904

SCHEMBL6608904

CCN1CCCC1CN(c1nc(N)nc(Nc2ccc(OC)c(F)c2)n1)C1CCCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 8/20 0.43
GALR2 O43603 7/20 0.43
L3MBTL1 Q9Y468 3/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
ALDH1A1 P00352 1/20 0.37
INSR P06213 1/20 0.36
AXL P30530 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 2/20 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
SCHEMBL5550316 1.00 GALR1 (0.43) GALR1GALR2L3MBTL1CYP2D6CYP2C19
SCHEMBL5553491 0.89 GALR1 (0.46) GALR1GALR2CDK1CDK4CCNB1
SCHEMBL4835999 0.88 GALR1 (0.40) GALR1GALR2CYP2D6CYP2C19CDK1
SCHEMBL4838559 0.88 GALR1 (0.41) GALR1GALR2CYP2D6CYP2C19CDK1
SCHEMBL4829533 0.87 GALR1 (0.41) GALR1GALR2CYP2D6CYP2C19CDK1
SCHEMBL5549889 0.87 GALR1 (0.45) GALR1GALR2L3MBTL1CYP2D6CYP2C19
SCHEMBL6273065 0.85 GALR1 (0.41) GALR1GALR2L3MBTL1CYP2D6CYP2C19
SCHEMBL4832137 0.84 GALR1 (0.47) GALR1GALR2DRD2
SCHEMBL6861989 0.84 L3MBTL1 (0.45) L3MBTL1CYP2D6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL6229931 0.84 GALR1 (0.42) GALR1GALR2L3MBTL1CYP2D6CYP2C19

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-1436266-A4 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-12-22 EP claimed
EP-1436266-A2 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2004-07-14 EP claimed
WO-2003024926-A2 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2003-03-27 WO claimed