SCHEMBL6237133

SCHEMBL6237133

COc1ccc(Nc2nc(N)cc(N(C3CCCCCC3)C3CN4CCC3CC4)n2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 7/20 0.42
GALR2 O43603 6/20 0.42
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRM2 P08172 1/20 0.38
BCL6 P41182 1/20 0.37
INSR P06213 1/20 0.37
AXL P30530 1/20 0.37
KDR P35968 1/20 0.37
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
KCNH2 Q12809 1/20 0.36
FLT3 P36888 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 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
SCHEMBL6428131 0.76 GALR1 (0.46) GALR1GALR2CHRM5CHRM1CHRM3
SCHEMBL4841219 0.72 BCL6 (0.48) GALR1GALR2BCL6MAPT
SCHEMBL6863750 0.71 EHMT2 (0.46) GALR1GALR2BCL6CDK1CDK4
SCHEMBL5550587 0.71 GALR1 (0.48) GALR1GALR2BCL6INSRAXL
SCHEMBL4836074 0.69 EHMT2 (0.49) GALR1GALR2BCL6AXLCDK1
SCHEMBL4835528 0.69 GALR1 (0.58) GALR1GALR2BCL6CDK1CDK4
SCHEMBL4839396 0.69 GALR1 (0.47) GALR1GALR2BCL6CDK1CDK4
SCHEMBL4836523 0.68 BCL6 (0.59) GALR1GALR2BCL6CYP2D6CYP2C19
SCHEMBL4832326 0.68 BCL6 (0.59) GALR1GALR2BCL6CYP2D6CYP2C19
SCHEMBL4835239 0.68 BCL6 (0.59) GALR1GALR2BCL6CYP2D6CYP2C19

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