SCHEMBL27364340

SCHEMBL27364340

CNc1cc(-c2ccc3cc(O)ccc3n2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.56
▸ ESR2 Q92731 1/20 0.56
▸ MAPT P10636 3/20 0.40
▸ APP P05067 4/20 0.40
▸ PLK1 P53350 1/20 0.39
▸ AR P10275 1/20 0.39
▸ PRKCA P17252 1/20 0.38
▸ PRKCD Q05655 1/20 0.38
▸ PRKD1 Q15139 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ MINK1 Q8N4C8 1/20 0.36
▸ TNIK Q9UKE5 1/20 0.36

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
SCHEMBL30779359 0.81 NCF1 (0.54) MAPTARMTORMEN1NPC1
SCHEMBL30779360 0.81 NCF1 (0.54) MAPTARMTORMEN1NPC1
SCHEMBL27364556 0.79 IRAK4 (0.47) ESR1ESR2AAK1
SCHEMBL16829410 0.77 ESR1 (0.73) ESR1ESR2MAPTAPPAR
SCHEMBL28992074 0.76 ESR1 (0.77) ESR1ESR2ARPDGFRBPDGFRA
SCHEMBL16829565 0.75 ESR2 (0.70) ESR1ESR2MAPTARPDGFRB
SCHEMBL21063869 0.74 MAPT (0.45) ESR1ESR2MAPTAAK1MEN1
SCHEMBL27364359 0.74 MAPT (0.47) MAPTAAK1CYP3A4ROCK1
SCHEMBL27363696 0.73 MAPT (0.40) MAPTPRKCAPRKCDPRKD1AAK1
SCHEMBL3007819 0.72 ESR1 (0.71) ESR1ESR2ARRAB9AMAP4K4

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
WO-2024049976-A1 N-METHYL-4-(QUINOLIN-2-YL)PYRIDIN-2-AMINE COMPOUNDS ABBVIE INC. (US) 2024-03-07 — — WO disclosed
WO-2024049976-A1 N-METHYL-4-(QUINOLIN-2-YL)PYRIDIN-2-AMINE COMPOUNDS ABBVIE INC. (US) 2024-03-07 — — WO disclosed
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