SCHEMBL2370127

SCHEMBL2370127

Cc1nccn1Cc1cc(Cl)nc(Nc2nc3cccnc3s2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.42
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ITK Q08881 2/20 0.41
LCK P06239 1/20 0.41
AURKB Q96GD4 1/20 0.41
TNIK Q9UKE5 1/20 0.38
WDR5 P61964 1/20 0.38
SSTR5 P35346 1/20 0.37
GLS O94925 1/20 0.35
RORC P51449 1/20 0.35
DHODH Q02127 1/20 0.35
TP53 P04637 4/20 0.35
MAPT P10636 4/20 0.35
BUB1 O43683 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL12291456 0.83 NPC1 (0.44) NPC1RAB9ASMN1; SMN2POLBLMNA
SCHEMBL2370616 0.81 ITK (0.57) POLBITKLCKAURKBSSTR5
SCHEMBL2370622 0.81 ITK (0.57) POLBITKLCKAURKBSSTR5
SCHEMBL807801 0.81 LMNA (0.42) POLBLMNAL3MBTL1LCKTNIK
SCHEMBL2370319 0.81 LMNA (0.42) NPC1RAB9ALMNAL3MBTL1LCK
SCHEMBL2369709 0.80 NPC1 (0.52) NPC1RAB9ASMN1; SMN2POLBLMNA
SCHEMBL10285818 0.79 NPC1 (0.49) NPC1RAB9ASMN1; SMN2POLBITK
SCHEMBL798710 0.78 LCK (0.45) NPC1RAB9ASMN1; SMN2POLBITK
SCHEMBL2370454 0.78 ITK (0.53) ITKLCKAURKBSSTR5RORC
SCHEMBL2370453 0.77 ITK (0.45) NPC1RAB9ASMN1; SMN2POLBITK

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
WO-2011110575-A1 DERIVATIVES OF 2-[2-(BENZO- OR PYRIDO-) THIAZOLYLAMINO]-6-AMINOPYRIDINE, USEFUL IN THE TREATMENT OF RESPIRATORIC, ALLERGIC OR INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2011-09-15 WO disclosed