SCHEMBL7010214

SCHEMBL7010214

N#Cc1cnc2ccccc2c1-c1ccc(CBr)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.44
MAP2K1 Q02750 3/20 0.39
RAF1 P04049 1/20 0.39
EGFR P00533 4/20 0.37
FLT1 P17948 2/20 0.37
KDR P35968 2/20 0.37
SRC P12931 2/20 0.37
ABL1 P00519 1/20 0.37
SYK P43405 1/20 0.37
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
CHUK O15111 1/20 0.36
ROCK2 O75116 1/20 0.36
CHEK2 O96017 1/20 0.36
INSR P06213 1/20 0.36
CDK1 P06493 1/20 0.36
CSF1R P07333 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 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
SCHEMBL27687262 0.84 LRRK2 (0.51) LRRK2MAP2K1RAF1FLT1KDR
SCHEMBL7014960 0.81 LRRK2 (0.50) LRRK2MAP2K1RAF1EGFRFLT1
SCHEMBL3156282 0.76 LRRK2 (0.50) LRRK2MAP2K1RAF1EGFRKDR
SCHEMBL5707689 0.74 ESR1 (0.51) ALDH1A1HPGDNPSR1KDM4EMAPT
SCHEMBL31054165 0.73 LRRK2 (0.45) LRRK2MAP2K1RAF1EGFRFLT1
SCHEMBL3881412 0.73 ADORA1 (0.41) LRRK2MAP2K1EGFRFLT1KDR
SCHEMBL15431217 0.69 TSHR (0.52) ALDH1A1HPGDNPSR1KDM4EMAPT
SCHEMBL7010219 0.69 ALDH1A1 (0.50) KDRCDK1ADORA1ALDH1A1HPGD
SCHEMBL12176924 0.68 TSHR (0.50) ALDH1A1HPGDNPSR1KDM4EMAPT
SCHEMBL1164857 0.67 LRRK2 (0.54) LRRK2MAP2K1RAF1EGFRADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1327631-A2 Fused heterocyclic compounds, their production and use as angiotensin II antagonists Takeda Chemical Industries, Ltd. (JP) 2003-07-16 EP disclosed
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP disclosed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed