SCHEMBL31303192

SCHEMBL31303192

FC(F)(F)c1n[nH]c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 11/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HCAR2 Q8TDS4 1/20 0.38
▸ AXL P30530 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ GPR84 Q9NQS5 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL1496225 1.00 GRM4 (0.45) GRM4CYP1A2CYP2C19HCAR2AXL
SCHEMBL12689594 0.81 GRM4 (0.39) GRM4AXLAURKAPARP1GPR84
SCHEMBL10154390 0.76 GSK3B (0.37) GRM4AXLAURKAPARP1GPR84
SCHEMBL13535278 0.75 TRPV1 (0.39) —
SCHEMBL1639471 0.75 AXL (0.41) GRM4AXLAURKAPARP1GPR84
SCHEMBL19794531 0.73 GRM4 (0.72) GRM4CYP1A2CYP2C19
SCHEMBL24406204 0.73 MAPT (0.39) GRM4AXLGPR84
SCHEMBL1495296 0.72 PDPK1 (0.48) AXLAURKAPARP1GPR84LRRK2
SCHEMBL30631993 0.72 PDPK1 (0.48) AXLAURKAPARP1GPR84LRRK2
SCHEMBL174642 0.72 PDPK1 (0.48) AXLAURKAPARP1GPR84LRRK2

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-119285629-A 5- [1,2, 4-Oxadiazole ] -6-oxygen-pyrazolopyridine derivative and preparation method and application thereof 中南大学 2025-01-10 — — CN claimed
CN-119285629-A 5- [1,2, 4-Oxadiazole ] -6-oxygen-pyrazolopyridine derivative and preparation method and application thereof 中南大学 2025-01-10 — — CN disclosed
CN-119219630-A 1H-pyrazolo [3,4-B ] pyridine-3-carbonitrile crystal form A and preparation method thereof 合肥菁科生物科技有限公司 2024-12-31 — — CN disclosed
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