SCHEMBL4037077

SCHEMBL4037077

Nc1n[nH]c2ccc(OC(=O)NCc3cccc(Cl)c3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.51
MAPK3 P27361 1/20 0.51
JAK2 O60674 5/20 0.49
JAK1 P23458 4/20 0.49
FAAH O00519 1/20 0.48
P2RX7 Q99572 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
APP P05067 1/20 0.42
RPS6KB1 P23443 1/20 0.42
HTT P42858 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL4036215 0.92 FAAH (0.48) MAPK1MAPK3JAK2JAK1FAAH
SCHEMBL5186631 0.82 JAK2 (0.47) MAPK1MAPK3JAK2JAK1P2RX7
SCHEMBL922525 0.81 MAPK1 (0.74) MAPK1MAPK3JAK2JAK1
SCHEMBL4122172 0.80 JAK2 (0.64) MAPK1MAPK3JAK2JAK1
SCHEMBL923648 0.79 MAPK1 (0.51) MAPK1MAPK3JAK2JAK1P2RX7
SCHEMBL12907359 0.77 NPSR1 (0.54) MAPK1MAPK3JAK2JAK1P2RX7
SCHEMBL4039865 0.77 JAK2 (0.67) MAPK1MAPK3JAK2JAK1
SCHEMBL4889624 0.76 DYRK1A (0.54) MAPK1MAPK3JAK2JAK1
Hydrochloric Acid SCHEMBL923474 0.76 JAK2 (0.65) MAPK1MAPK3JAK2JAK1
SCHEMBL4890315 0.75 MAPK1 (0.52) MAPK1MAPK3JAK2JAK1

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-1765788-B1 3-AMINOINDAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SGK-ASSOCIATED DISEASES MERCK PATENT GMBH (DE) 2009-06-03 EP claimed
EP-1765788-B1 3-AMINOINDAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SGK-ASSOCIATED DISEASES MERCK PATENT GMBH (DE) 2009-06-03 EP disclosed