SCHEMBL2369950

SCHEMBL2369950

Clc1cc(Cn2cccn2)cc(Nc2nc3ccc(Br)cc3s2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
MAPT P10636 6/20 0.40
GAA P10253 2/20 0.40
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 1/20 0.38
NPC1 O15118 2/20 0.38
DYRK1A Q13627 1/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CLK1 P49759 2/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 1/20 0.36
CSNK1D P48730 1/20 0.36
LCK P06239 1/20 0.36
CSNK2A2 P19784 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
SCHEMBL2370870 0.81 ITK (0.48) RAB9AMAPTGAACYP1A2CYP3A4
SCHEMBL2370873 0.81 ITK (0.48) RAB9AMAPTGAACYP1A2CYP3A4
SCHEMBL2370319 0.81 LMNA (0.42) RAB9AMAPTGAACYP1A2CYP3A4
SCHEMBL2370005 0.80 RAB9A (0.51) RAB9AMAPTGAACYP1A2CYP3A4
SCHEMBL2369866 0.79 AURKB (0.46) RAB9AMAPTGAACYP1A2CYP3A4
SCHEMBL2370335 0.78 ALDH1A1 (0.45) RAB9AMAPTGAACYP3A4KMT2A
SCHEMBL2370982 0.74 RAB9A (0.53) RAB9AMAPTGAACYP1A2CYP3A4
SCHEMBL2369553 0.72 RAB9A (0.46) RAB9AMAPTGAACYP1A2CYP3A4
SCHEMBL2370449 0.70 GAA (0.58) MAPTGAAMEN1KMT2AHDAC1
SCHEMBL29470520 0.70 LCK (0.54) RAB9AMAPTGAACYP1A2CYP3A4

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