SCHEMBL2370474

SCHEMBL2370474

O=[N+]([O-])c1ccc2nc(Nc3cc(Cc4ccccc4)cc(Cl)n3)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
RIPK1 Q13546 1/20 0.47
DYRK1A Q13627 1/20 0.47
CXCR2 P25025 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
ACP1 P24666 2/20 0.46
LMNA P02545 4/20 0.46
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL2370042 0.84 AURKB (0.46) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL143634 0.84 MAPT (0.49) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2369866 0.82 AURKB (0.46) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2370374 0.81 KMT2A (0.56) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2370220 0.79 ALDH1A1 (0.59) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4908275 0.77 ALDH1A1 (0.71) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5001543 0.76 RIPK1 (0.63) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL140510 0.75 ITK (0.76) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL140511 0.75 ITK (0.76) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5001727 0.74 RIPK1 (0.67) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2

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