SCHEMBL2228108

SCHEMBL2228108

O=C(Nc1cccnc1)c1cnccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.65
▸ NPC1 O15118 7/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ LMNA P02545 1/20 0.63
▸ HIF1A Q16665 1/20 0.63
▸ MAPT P10636 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ TP53 P04637 2/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ USP2 O75604 1/20 0.62
▸ PRKCI P41743 1/20 0.61
▸ NAMPT P43490 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.60
▸ CYP11B2 P19099 2/20 0.60
▸ CYP11B1 P15538 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ CTDSP1 Q9GZU7 1/20 0.60
▸ TSHR P16473 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ MCL1 Q07820 1/20 0.59

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
SCHEMBL1452104 0.88 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL12469188 0.87 ATG4B (0.69) RAB9ANPC1LMNAHIF1AKMT2A
SCHEMBL31520136 0.82 LMNA (0.61) RAB9ANPC1SMN1; SMN2LMNAHIF1A
SCHEMBL28055749 0.81 POLB (0.66) RAB9ANPC1SMN1; SMN2LMNAHIF1A
SCHEMBL12707716 0.81 LMNA (0.73) RAB9ANPC1LMNAHIF1ANAMPT
SCHEMBL12010995 0.80 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL12074337 0.80 HSD17B10 (0.63) RAB9ANPC1SMN1; SMN2LMNAHIF1A
SCHEMBL259290 0.80 RAB9A (0.69) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL30354911 0.80 PRKCI (0.61) RAB9ANPC1SMN1; SMN2LMNAHIF1A
SCHEMBL29151323 0.80 PRKCI (0.61) RAB9ANPC1SMN1; SMN2LMNAHIF1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406877-A1 HETEROCYCLIC AMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-04-14 — — EP claimed
WO-2003004475-A1 HETEROCYCLIC AMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 — — WO claimed
WO-2011089416-A1 PYRAZINE DERIVATIVES ASTRAZENECA AB (SE) 2011-07-28 — — WO disclosed
CN-101394851-A Gsk-3 inhibitors for the treatment of osteoporosis ASTRAZENECA AB (SE) 2009-03-25 — — CN disclosed
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