SCHEMBL11160835

SCHEMBL11160835

CNc1nc(C)c(-c2ccc(N)c(N)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ PIK3CD O00329 8/20 0.40
▸ PIK3CA P42336 8/20 0.40
▸ PIK3CB P42338 8/20 0.40
▸ PIK3CG P48736 8/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL11000112 0.84 CDK2 (0.40) KMT2AALDH1A1MAPTMEN1NPC1
SCHEMBL12004940 0.82 KMT2A (0.49) KMT2AALDH1A1MAPTMEN1NPC1
SCHEMBL11320328 0.75 JAK2 (0.40) KMT2AALDH1A1MAPTMEN1NPC1
SCHEMBL11916724 0.74 KMT2A (0.48) KMT2AALDH1A1MAPTMEN1NPC1
SCHEMBL924920 0.73 ALDH1A1 (0.51) KMT2AALDH1A1MAPTMEN1NPC1
SCHEMBL10669262 0.73 KMT2A (0.56) KMT2AALDH1A1MAPTMEN1NPC1
SCHEMBL24426663 0.73 NOTUM (0.39) KMT2AALDH1A1MAPTMEN1NPC1
Hydrochloric Acid SCHEMBL10668153 0.71 KMT2A (0.54) KMT2AALDH1A1MAPTMEN1NPC1
SCHEMBL18616748 0.71 PIK3CA (0.61) KMT2AALDH1A1MAPTMEN1NPC1
SCHEMBL15651736 0.71 BRD4 (0.45) KMT2AALDH1A1MAPTMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4386097-A Benzimidazoles, processes for their preparation and pharmaceutical preparations containing such compounds CIBA-GEIGY CORPORATION (US) 1983-05-31 — — US disclosed
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