SCHEMBL31000180

SCHEMBL31000180

COc1cc(Cl)nnc1C1CC(F)(F)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ APLNR P35414 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
SCHEMBL31739854 0.87 ALDH1A1 (0.34) ALDH1A1LMNA
SCHEMBL31000137 0.82 APLNR (0.32) ALDH1A1LMNAAPLNR
SCHEMBL24542801 0.82 PDE10A (0.37) ALDH1A1LMNA
SCHEMBL31000179 0.81 TRPC6 (0.40) MAOA
SCHEMBL30698321 0.78 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL31000173 0.76 PRKAB2 (0.34) ALDH1A1LMNA
SCHEMBL15633193 0.75 — —
SCHEMBL31000259 0.70 PTAFR (0.33) ALDH1A1LMNAAPLNR
SCHEMBL31000097 0.69 CYP1A2 (0.33) —
SCHEMBL31000267 0.69 ENPP1 (0.36) MAOAALDH1A1LMNA

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-4658659-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-12-10 — — EP disclosed
WO-2024163764-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-08-08 — — WO disclosed
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