SCHEMBL3170463

SCHEMBL3170463

CC(=O)NCCNc1cc(NCCNC(=O)c2ccc3[nH]c(C)nc3c2)nc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.40
NAMPT P43490 8/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
RIPK2 O43353 1/20 0.39
LCK P06239 2/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
GABRA5 P31644 1/20 0.37

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
SCHEMBL3161730 0.91 ADORA2A (0.48) RAB9ASMN1; SMN2ADORA2AADORA1
SCHEMBL3156424 0.90 ADORA2A (0.46) NAMPTNPC1RAB9AL3MBTL1MEN1
SCHEMBL3155990 0.85 L3MBTL1 (0.50) ADORA3NAMPTNPC1RAB9AL3MBTL1
SCHEMBL3163156 0.83 RAB9A (0.48) ADORA3NPC1RAB9AL3MBTL1MEN1
SCHEMBL3164704 0.83 GBA1 (0.42) ADORA3SMN1; SMN2ADORA2AADORA1HRH4
SCHEMBL3176983 0.82 ADORA3 (0.57) ADORA3NPC1RAB9AL3MBTL1MEN1
SCHEMBL3170845 0.82 ADORA3 (0.46) ADORA3NPC1RAB9AL3MBTL1MEN1
SCHEMBL3168952 0.81 ADORA3 (0.43) ADORA3NPC1RAB9AL3MBTL1MEN1
SCHEMBL3163147 0.81 ALDH1A1 (0.50) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL3171162 0.80 ADORA2A (0.56) ADORA3SMN1; SMN2ADORA2AADORA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465631-B1 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-02-24 EP disclosed
EP-1465631-A4 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-03-30 EP disclosed
EP-1465631-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-13 EP disclosed
WO-2003053366-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 WO disclosed