SCHEMBL6231024

SCHEMBL6231024

Nc1nc(NCC2CCCN2)nc(N(CC2CCCCC2)c2ccc(OC3CC3)c(F)c2)n1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
GALR1 P47211 1/20 0.31

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
SCHEMBL6428170 0.91 GALR1 (0.37) ADORA2AADORA1GALR1
SCHEMBL5032177 0.75 KDM4E (0.40) GALR1
SCHEMBL6232918 0.75 GALR1 (0.37) ADORA2AADORA1GALR1
SCHEMBL5031282 0.74 GALR1 (0.44) GALR1
SCHEMBL6922052 0.74 L3MBTL1 (0.34)
SCHEMBL6864393 0.73 DRD2 (0.41) GALR1
SCHEMBL6231594 0.72 KDM4E (0.35)
SCHEMBL5428789 0.72 GALR1 (0.43) ADORA2AADORA1GALR1
SCHEMBL6233028 0.71 CYP19A1 (0.41) GALR1
SCHEMBL6607362 0.70 GALR1 (0.39) GALR1

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