SCHEMBL30701989

SCHEMBL30701989

Brc1ccc2cncc(N=C(c3ccccc3)c3ccccc3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
NTRK3 Q16288 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MPO P05164 1/20 0.33
CYP2A6 P11509 1/20 0.33
RXFP1 Q9HBX9 4/20 0.33
LMNA P02545 1/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL27192364 1.00 ALOX15 (0.38) ALOX15HTTKITFLT3NTRK3
SCHEMBL30702067 0.83 ALDH1A1 (0.36) HTTCYP1A2CYP2A6LMNANPSR1
SCHEMBL27192431 0.83 ALDH1A1 (0.36) HTTCYP1A2CYP2A6LMNANPSR1
SCHEMBL14658340 0.82 ADRA2A (0.39) PLGCYP1A2CYP3A4CYP2C19LMNA
SCHEMBL27191888 0.81 PLG (0.42) PLGPLAUPLATCYP1A2CYP3A4
SCHEMBL30702054 0.80 SLC22A12 (0.34) GAA
SCHEMBL27192024 0.80 CYP11B1 (0.47) PLAUCYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL27191769 0.80 SLC22A12 (0.34) GAA
SCHEMBL30702057 0.80 CYP11B1 (0.47) PLAUCYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL30701997 0.78 CYP11B2 (0.35) HTTLMNAKMT2ARAB9ASMN1; SMN2

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-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 EP disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 WO disclosed