SCHEMBL26071047

SCHEMBL26071047

Nc1[nH]nnc1-c1cccc(OCc2cccc3ccsc23)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
IGF1R P08069 4/20 0.33
EGFR P00533 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PRKDC P78527 1/20 0.33
ATR Q13535 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
NOTUM Q6P988 1/20 0.33
BRD4 O60885 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
DCPS Q96C86 2/20 0.32
DHFR P00374 1/20 0.32
F9 P00740 2/20 0.32

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
SCHEMBL18006417 0.85 ALOX5 (0.34) ALOX5CYSLTR2CYSLTR1EGFRSLC22A12
SCHEMBL26071012 0.80 HSD17B10 (0.38) CYSLTR2CYSLTR1IGF1REGFRPIK3CD
SCHEMBL26070957 0.80 MRGPRX4 (0.44) ALOX5IGF1RPIK3CDPIK3CAPIK3CB
SCHEMBL26071020 0.77 NR1H2 (0.48) IGF1REGFRSLC22A12
SCHEMBL26070959 0.77 AKT1 (0.38) CYSLTR2CYSLTR1IGF1REGFRPIK3CD
SCHEMBL26070955 0.75 AGXT (0.44) CYSLTR2CYSLTR1IGF1RPIK3CDPIK3CA
SCHEMBL26071043 0.75 CHEK1 (0.43) CYSLTR2CYSLTR1IGF1RSLC22A12NOTUM
SCHEMBL26070963 0.74 EGFR (0.43) EGFRPIK3CA
SCHEMBL26071083 0.74 SLC22A12 (0.38) IGF1RPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL26071075 0.73 CYSLTR2 (0.36) CYSLTR2CYSLTR1IGF1RPIK3CDPIK3CA

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
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed