SCHEMBL30706586

SCHEMBL30706586

Oc1c2ccccc2cc2[nH]nc(C3CCCCO3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ RAB9A P51151 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PRKAG1 P54619 5/20 0.32
▸ PRKAA1 Q13131 5/20 0.32
▸ PRKAB1 Q9Y478 5/20 0.32
▸ PRKAA2 P54646 4/20 0.32
▸ PRKAB2 O43741 3/20 0.32
▸ PRKAG3 Q9UGI9 3/20 0.32
▸ PRKAG2 Q9UGJ0 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ GRM4 Q14833 2/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 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
SCHEMBL30540792 0.77 RAB9A (0.42) PIM1PIM2RAB9ANPC1KDM4E
SCHEMBL5562287 0.73 KDM4E (0.41) PIM1PIM2RAB9ANPC1KDM4E
SCHEMBL31586483 0.70 GAA (0.38) PIM1PIM2RAB9ANPC1GSK3B
SCHEMBL3402451 0.70 GAA (0.44) PIM1PIM2PRKAG1PRKAA1PRKAB1
SCHEMBL14721720 0.68 PRKAG1 (0.33) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL30823749 0.68 GSK3B (0.42) PIM1PIM2MAPTKDM4EGSK3B
SCHEMBL15740705 0.68 PIM1 (0.33) PIM1PIM2RAB9ANPC1ALDH1A1
SCHEMBL31190772 0.68 PIM1 (0.33) PIM1PIM2RAB9ANPC1ALDH1A1
SCHEMBL26905298 0.67 KDM4E (0.50) PIM1PIM2RAB9ANPC1MAPT
SCHEMBL28926587 0.66 SMN1; SMN2 (0.45) RAB9ANPC1MAPTKDM4CALDH1A1

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-4540255-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2025-04-23 — — EP disclosed
WO-2023244615-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-12-21 — — WO disclosed
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