SCHEMBL28810940

SCHEMBL28810940

Nc1cnc(Cc2cc(F)cc(F)c2)cn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CLK1 P49759 3/20 0.33
DYRK1A Q13627 3/20 0.33
BACE1 P56817 1/20 0.32
NTRK1 P04629 5/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
ALOX5AP P20292 4/20 0.31
FEN1 P39748 3/20 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
SCHEMBL21384229 0.74 GABRP (0.44) IDO1BACE1NTRK1NOS3
SCHEMBL28091212 0.73 MEN1 (0.46) MEN1KMT2AALOX5APFEN1
SCHEMBL28046258 0.73 NOS1 (0.40) IDO1BACE1NOS3NOS1
SCHEMBL12963770 0.69
SCHEMBL14814345 0.67 CLK1 (0.37) CLK1DYRK1ANTRK1
SCHEMBL5251885 0.67 IDO1 (0.50) IDO1NTRK1
SCHEMBL379466 0.67 FEN1 (0.47) ALOX5APFEN1
SCHEMBL28281085 0.67 CYP11B1 (0.36) IDO1NTRK1
SCHEMBL19792419 0.66
SCHEMBL16346569 0.66 NOS2 (0.47) MEN1KMT2ADYRK1ANTRK1NOS3

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
CN-114901280-B MrgprX2 antagonists and uses thereof 德米拉公司 2025-05-27 CN disclosed
EP-4054570-A1 MRGPRX2 ANTAGONISTS AND USES THEREOF Dermira, Inc (US) 2022-09-14 EP disclosed
CN-114901280-A MrgprX2 antagonists and uses thereof 德米拉公司 2022-08-12 CN disclosed