SCHEMBL30779360

SCHEMBL30779360

CNc1cc(-c2ccc3ccccc3n2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.54
▸ RAB9A P51151 11/20 0.54
▸ NPC1 O15118 10/20 0.54
▸ AR P10275 3/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ SMN1; SMN2 Q16637 8/20 0.49
▸ KDM4E B2RXH2 7/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ NFKB1 P19838 2/20 0.45
▸ NFKB2 Q00653 2/20 0.45
▸ RELA Q04206 2/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44

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 1.00 NCF1 (0.54) NCF1RAB9ANPC1ARCYP3A4
SCHEMBL27364340 0.81 ESR1 (0.56) RAB9ANPC1ARCYP3A4MEN1
SCHEMBL21974426 0.77 NCF1 (0.61) NCF1RAB9ANPC1ARCYP3A4
SCHEMBL15683652 0.75 CNR1 (0.56) NCF1RAB9ANPC1ARCYP3A4
SCHEMBL2480308 0.73 FDPS (0.53) MAPTCNR1
SCHEMBL17449881 0.73 RAB9A (0.62) NCF1RAB9ANPC1ARCYP3A4
SCHEMBL30938000 0.72 NPC1 (0.58) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL7914859 0.72 NPC1 (0.58) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL1298106 0.72 NPC1 (0.61) NCF1RAB9ANPC1ARCYP3A4
SCHEMBL5506476 0.72 NCF1 (1.00) NCF1RAB9ANPC1CYP3A4CYP1A2

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-4581023-A1 N-METHYL-4-(QUINOLIN-2-YL)PYRIDIN-2-AMINE COMPOUNDS AbbVie Inc. (US) 2025-07-09 — — EP 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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