SCHEMBL2370103

SCHEMBL2370103

Nc1cc(Cn2cccn2)cc(Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
ADCY10 Q96PN6 1/20 0.45
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HTT P42858 1/20 0.41
KLKB1 P03952 8/20 0.40
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2370449 0.89 GAA (0.58) GAAMAPTADCY10NOS3NOS1
SCHEMBL12291851 0.89 HTT (0.46) GAAMAPTADCY10NOS3NOS1
SCHEMBL26074284 0.78 GAA (0.48) GAAMAPTADCY10NOS3NOS1
SCHEMBL15790593 0.74 GAA (0.62) GAAMAPTNOS3NOS1CA12
SCHEMBL22029272 0.74 NOS2 (0.45) MAPTNOS3NOS1MEN1KMT2A
SCHEMBL265575 0.73 MAPT (0.60) GAAMAPTNOS3NOS1CA12
SCHEMBL3397894 0.71 GAA (0.67) GAAMAPTNOS3NOS1CA12
SCHEMBL17221602 0.71 MAPT (0.62) GAAMAPTNOS3NOS1CA12
SCHEMBL12290870 0.70 MAPKAPK2 (0.43) NOS3NOS1KLKB1TDP1
SCHEMBL324202 0.70 MAPT (0.61) GAAMAPTNOS3NOS1CA12

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
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
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