SCHEMBL7515965

SCHEMBL7515965

Cn1nc(-c2ccc(Cl)c(N)c2)c(Br)c1OC(F)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
KCNH2 Q12809 6/20 0.34
GRIN2B Q13224 2/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
ABL1 P00519 2/20 0.31
SRC P12931 2/20 0.31
PIK3CD O00329 1/20 0.31
EGFR P00533 1/20 0.31
HCK P08631 1/20 0.31
KDR P35968 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
EPHB4 P54760 1/20 0.31
PRKDC P78527 1/20 0.31

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
SCHEMBL7713559 0.88 SCN9A (0.36) SCN9AKCNH2GRIN2BMEN1KMT2A
SCHEMBL7506245 0.82 KDM4E (0.36) KMT2A
SCHEMBL6287485 0.81 SCN9A (0.31) SCN9A
SCHEMBL7510124 0.81 L3MBTL1 (0.40) MEN1KMT2A
SCHEMBL7504113 0.80 SCN9A (0.34) SCN9A
SCHEMBL1554622 0.78 MAPK14 (0.40) SCN9A
SCHEMBL8114467 0.78 CHRNB2 (0.34) KCNH2MEN1KMT2APIK3CDKDR
SCHEMBL8888283 0.77 TSHR (0.36) SCN9AKCNH2MEN1KMT2AJAK2
SCHEMBL6286324 0.77
SCHEMBL7781838 0.73 KCNH2 (0.38) KCNH2GRIN2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6482774-B1 Substituted (4-brompyrazole-3-yl) benzazoles BASF AKTIENGESELLSCHAFT (DE) 2002-11-19 US disclosed
EP-1076660-B1 SUBSTITUTED (4-BROMPYRAZOLE-3-YL)BENZAZOLES BASF AG (DE) 2002-06-26 EP disclosed
CN-1302298-A Substituted (4-brompyrazole-3-yl) indole BASF AG (DE) 2001-07-04 CN disclosed