SCHEMBL6233417

SCHEMBL6233417

CCN1CCCC1CN(CC1CCCCC1)c1nc(N)nc(Nc2ccc(OCOC)c(F)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 4/20 0.38
GALR2 O43603 4/20 0.36
AXL P30530 3/20 0.36
INSR P06213 2/20 0.36
KDR P35968 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
CDK4 P11802 2/20 0.34
CCND1 P24385 2/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
EGFR P00533 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CCNT1 O60563 1/20 0.33
CCND3 P30281 1/20 0.33
CDK9 P50750 1/20 0.33
CDK6 Q00534 1/20 0.33
BACE1 P56817 1/20 0.33

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 0.91 GALR1 (0.45) GALR1GALR2AXLINSRKDR
SCHEMBL5553491 0.88 GALR1 (0.46) GALR1GALR2AXLINSRKDR
SCHEMBL6429807 0.87 HTT (0.39) GALR1L3MBTL1EGFRCYP2D6CYP2C19
SCHEMBL6428940 0.85 PIK3CA (0.38)
SCHEMBL6233437 0.84 GALR1 (0.46) GALR1GALR2CDK4CCND1CDK1
SCHEMBL6229485 0.84 GALR1 (0.41) GALR1GALR2AXLINSRKDR
SCHEMBL6429951 0.83 GALR1 (0.42) GALR1GALR2AXLINSRKDR
SCHEMBL6273065 0.81 GALR1 (0.41) GALR1GALR2AXLINSRKDR
SCHEMBL6608904 0.81 GALR1 (0.43) GALR1GALR2AXLINSRKDR
SCHEMBL5550316 0.81 GALR1 (0.43) GALR1GALR2AXLINSRKDR

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