SCHEMBL28474967

SCHEMBL28474967

Clc1cc(-c2cc[c]cc2)ncn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 8/20 0.39
▸ CDC7 O00311 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CDK7 P50613 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ PRKX P51817 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ PKN2 Q16513 1/20 0.37
▸ MINK1 Q8N4C8 1/20 0.37
▸ HIPK2 Q9H2X6 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ STK17A Q9UEE5 1/20 0.37

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
SCHEMBL632053 0.79 ASIC3 (0.59) KMOCDC7DAPK3MAP4K4PIM1
SCHEMBL29392239 0.79 ASIC3 (0.59) KMOCDC7DAPK3MAP4K4PIM1
SCHEMBL1257940 0.79 KMO (0.58) KMOCDC7DAPK3MAP4K4PIM1
SCHEMBL714571 0.78 ASIC3 (0.57) KMOMIFASIC3GRM5NPC1
SCHEMBL3826204 0.78 ABL1 (0.44) KMOCDC7DAPK3MAP4K4PIM1
SCHEMBL712321 0.76 MIF (0.37) KMOCLK4MIFASIC3AAK1
SCHEMBL19244911 0.76 KMO (0.46) KMOCDC7DAPK3MAP4K4PIM1
SCHEMBL3406220 0.76 KMO (0.46) KMOCDC7DAPK3MAP4K4PIM1
SCHEMBL2907264 0.76 CYP1A2 (0.44) KMOCDC7DAPK3MAP4K4PIM1
SCHEMBL15339601 0.76 KDM4E (0.46) KMOCDC7DAPK3MAP4K4PIM1

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
CN-108349949-B N-substituted indole derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2020-11-17 — — CN disclosed
CN-108349949-A N- substituted indole derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2018-07-31 — — CN disclosed
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