SCHEMBL31539809

SCHEMBL31539809

[2H]c1ccc2cn[nH]c2c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.48
▸ MAPT P10636 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ FGFR1 P11362 2/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ RET P07949 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ LTK P29376 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ MAP2K2 P36507 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ CSNK1A1 P48729 1/20 0.42
▸ PRKX P51817 1/20 0.42
▸ CDK5 Q00535 1/20 0.42

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
SCHEMBL3519434 0.82 NOS1 (0.59) NOS1MAPTHSD17B10TDP1FGFR1
SCHEMBL31722116 0.70 NOS1 (0.50) NOS1MAPTHSD17B10TDP1FGFR1
SCHEMBL31358225 0.69 MAPT (0.46) NOS1MAPTHSD17B10TDP1FGFR1
SCHEMBL14737058 0.69 MAPT (0.46) NOS1MAPTHSD17B10TDP1FGFR1
SCHEMBL3064844 0.69 NOS1 (0.63) NOS1MAPTHSD17B10TDP1FGFR1
SCHEMBL19249524 0.67 NOS1 (0.36) NOS1MAPTHSD17B10TDP1FGFR1
SCHEMBL11577937 0.67 METAP2 (0.39) NOS1MAPTFGFR1PLK4CHEK1
SCHEMBL29760779 0.67 NOS1 (0.36) NOS1MAPTHSD17B10TDP1FGFR1
SCHEMBL14231151 0.67 NOS1 (0.61) NOS1MAPTHSD17B10TDP1FGFR1
SCHEMBL18133834 0.67 MAPT (0.43) NOS1MAPTHSD17B10TDP1FGFR1

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-2025052129-A1 PYRIDINE DERIVATIVES WHICH ACT AS INHIBITORS OF MPTP. NRG THERAPEUTICS LTD (GB) 2025-03-13 — — WO disclosed
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