SCHEMBL27377149

SCHEMBL27377149

O=C(NCc1cc(F)cc(-c2cnn(-c3ccc(F)cc3)c2)c1)c1ncnc2nc(C3CC4CC4C3)[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.36
▸ TRPA1 O75762 8/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ KIT P10721 1/20 0.32
▸ NR2E3 Q9Y5X4 1/20 0.32
▸ APOL1 O14791 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ MELK Q14680 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ BTK Q06187 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ WNT1 P04628 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
SCHEMBL30751316 1.00 MET (0.36) METTRPA1DYRK1AKITNR2E3
SCHEMBL30751057 0.94 MET (0.36) METTRPA1DYRK1AKITNR2E3
SCHEMBL27376982 0.93 MET (0.36) METTRPA1DYRK1AKITNR2E3
SCHEMBL30751055 0.93 MET (0.36) METTRPA1DYRK1AKITNR2E3
SCHEMBL30751355 0.93 MET (0.37) METTRPA1DYRK1AKITNR2E3
SCHEMBL27375170 0.93 MET (0.37) METTRPA1DYRK1AKITNR2E3
SCHEMBL30751091 0.92 MET (0.35) METTRPA1DYRK1AKITNR2E3
SCHEMBL27376866 0.92 MET (0.37) METTRPA1DYRK1AKITNR2E3
SCHEMBL30751074 0.91 MET (0.36) METTRPA1DYRK1AKITNR2E3
SCHEMBL30751051 0.91 MET (0.36) METTRPA1DYRK1AKITNR2E3

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
WO-2024030000-A1 NOVEL COMPOUND AS HYPOXIA-INDUCIBLE FACTOR 1(HIF-1) INHIBITOR OR VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 넥스트젠바이오사이언스 2024-02-08 — — WO disclosed
Send feedback