SCHEMBL3155990

SCHEMBL3155990

CC(=O)NCCNc1cc(NCCNC(=O)c2ccc3[nH]cnc3c2)nc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.47
NAMPT P43490 9/20 0.44
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
ADORA3 P0DMS8 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASP6 P55212 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL3170710 0.91 HTT (0.44) L3MBTL1POLBNAMPTHTTLMNA
SCHEMBL3155794 0.89 L3MBTL1 (0.48) L3MBTL1POLBNAMPTHTTLMNA
SCHEMBL3170463 0.85 ADORA3 (0.40) L3MBTL1NAMPTADORA3NPC1RAB9A
SCHEMBL3169097 0.83 SMN1; SMN2 (0.45) L3MBTL1POLBLMNAMEN1KMT2A
SCHEMBL3176983 0.82 ADORA3 (0.57) L3MBTL1POLBLMNAADORA3NPC1
SCHEMBL3163156 0.81 RAB9A (0.48) L3MBTL1POLBLMNAADORA3NPC1
SCHEMBL3172697 0.80 NPC1 (0.47) L3MBTL1POLBLMNAADORA3NPC1
SCHEMBL3175775 0.80 ADORA3 (0.48) L3MBTL1POLBLMNAADORA3NPC1
SCHEMBL3170845 0.80 ADORA3 (0.46) L3MBTL1POLBHTTLMNAADORA3
SCHEMBL3165534 0.80 ADORA3 (0.44) L3MBTL1NAMPTADORA3NPC1RAB9A

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 1 patent. 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