SCHEMBL1843136

SCHEMBL1843136

CCNC(=O)Nc1nc2c(F)c(-c3cccc(C(=O)O)c3)cc(-c3ccccn3)c2s1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ PIK3CA P42336 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ ABL1 P00519 6/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38

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
SCHEMBL1844259 0.99 MAPK1 (0.45) MAPK1PIK3CAMAPK8MAPK9MAPK10
Lithium SCHEMBL1844267 0.99 MAPK1 (0.45) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL1843890 0.92 ABL1 (0.45) MAPK1PIK3CAMAPK8MAPK9MAPK10
Lithium Ion SCHEMBL1844263 0.91 NPC1 (0.41) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL1842971 0.91 ABL1 (0.43) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1842937 0.91 ABL1 (0.44) MAPK1PIK3CAMAPK8MAPK9MAPK10
Lithium SCHEMBL1842944 0.91 ABL1 (0.44) MAPK1PIK3CAMAPK8MAPK9MAPK10
Lithium SCHEMBL1842524 0.90 MAPK1 (0.40) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL1842521 0.90 MAPK1 (0.40) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL1843004 0.88 MAPK1 (0.43) MAPK1PIK3CAMAPK8MAPK9MAPK10

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
EP-2321309-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2011-05-18 — — EP claimed
WO-2009156966-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-30 — — WO claimed
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