SCHEMBL2369646

SCHEMBL2369646

Fc1cccc(Nc2nc3ccc(Br)cc3s2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
NPC1 O15118 7/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
DYRK1A Q13627 1/20 0.49
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 5/20 0.46
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
MCL1 Q07820 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL2370982 0.84 RAB9A (0.53) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL2370355 0.81 SMN1; SMN2 (0.48) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL2369814 0.75 IRAK4 (0.44) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL2369815 0.75 IRAK4 (0.44) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL2369949 0.75 ITK (0.54) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL2369954 0.75 ITK (0.54) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL808047 0.75 LCK (0.53) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL2369355 0.74 MAPT (0.45) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL141266 0.73 AURKB (0.51) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL112775 0.72 PIK3CA (0.48) RAB9ANPC1CYP1A2CYP3A4CYP2C9

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