SCHEMBL22532049

SCHEMBL22532049

O=C1c2ncc(Br)cc2CN1CCC1CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.37
▸ ACHE P22303 5/20 0.37
▸ ITGB3 P05106 3/20 0.33
▸ ITGA2B P08514 3/20 0.33
▸ ITGA2 P17301 1/20 0.33
▸ MAOA P21397 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ABHD6 Q9BV23 1/20 0.30
▸ FNTA P49354 1/20 0.30
▸ FNTB P49356 1/20 0.30

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
SCHEMBL20808702 0.82 PARP1 (0.38) MAPK1MAOAHSD17B10ABHD6
SCHEMBL15796712 0.79 HSD17B3 (0.38) HSD17B10ABHD6
SCHEMBL21593485 0.78 ABHD6 (0.36) MAOAABHD6
SCHEMBL30130896 0.78 ABHD6 (0.36) MAOAABHD6
SCHEMBL20985793 0.75 EGFR (0.37) MAPK1ITGB3ITGA2BITGA2ABHD6
SCHEMBL22532176 0.74 ACHE (0.38) MAPK1ACHEITGB3ITGA2BITGA2
SCHEMBL289293 0.73 BRD4 (0.41) HSD17B10ABHD6
SCHEMBL22749555 0.73 ACHE (0.37) MAPK1ACHEITGB3ITGA2BITGA2
SCHEMBL1685821 0.73 ACHE (0.39) MAPK1ACHEITGB3ITGA2BITGA2
SCHEMBL14876149 0.70 ABHD6 (0.35) MAOAHSD17B10ABHD6

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-3952870-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Nanjing Zhengxiang Pharmaceuticals Co., Ltd. (CN) 2022-02-16 — — EP disclosed
WO-2020210379-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS HANGZHOU ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2020-10-15 — — WO disclosed
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