SCHEMBL4965915

SCHEMBL4965915

NC(=O)c1ccsc1-c1ccc2cc(-c3ccc4[nH]ncc4c3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 7/20 0.47
▸ ROCK2 O75116 7/20 0.47
▸ PIM1 P11309 6/20 0.47
▸ AURKB Q96GD4 5/20 0.47
▸ DYRK1A Q13627 4/20 0.47
▸ CLK4 Q9HAZ1 4/20 0.47
▸ CLK2 P49760 3/20 0.47
▸ CLK1 P49759 2/20 0.47
▸ CDK5 Q00535 2/20 0.47
▸ DYRK1B Q9Y463 2/20 0.47
▸ DYRK3 O43781 2/20 0.47
▸ CLK3 P49761 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ DYRK2 Q92630 1/20 0.47
▸ RIPK2 O43353 1/20 0.47
▸ AR P10275 1/20 0.46
▸ QPCT Q16769 1/20 0.43
▸ QPCTL Q9NXS2 1/20 0.43
▸ TRPA1 O75762 2/20 0.42
▸ MKNK2 Q9HBH9 2/20 0.41

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
SCHEMBL2564058 0.96 ROCK2 (0.50) GSK3BROCK2PIM1AURKBDYRK1A
SCHEMBL4960140 0.77 PI4K2A (0.46) RIPK2CHEK1LCKBTKKDM4E
SCHEMBL3380293 0.74 TRPA1 (0.59) GSK3BROCK2PIM1AURKBDYRK1A
SCHEMBL7572389 0.71 TGFBR1 (0.50) GSK3BROCK2PIM1AURKBDYRK1A
SCHEMBL30627398 0.71 TGFBR1 (0.50) GSK3BROCK2PIM1AURKBDYRK1A
SCHEMBL21632392 0.70 AR (0.49) GSK3BROCK2PIM1AURKBDYRK1A
SCHEMBL17909871 0.69 RIPK2 (0.51) GSK3BROCK2PIM1AURKBDYRK1A
SCHEMBL29949712 0.69 AR (0.63) ROCK2DYRK1ACLK4CLK2AR
SCHEMBL5799577 0.69 AR (0.63) ROCK2DYRK1ACLK4CLK2AR
SCHEMBL1419814 0.69 AR (0.63) ROCK2DYRK1ACLK4CLK2AR

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-1896461-A2 BIS-ARYL KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF INFLAMMATION, ANGIOGENESIS AND CANCER Amgen Inc. (US) 2008-03-12 — — EP disclosed
WO-2007005668-A2 BIS-ARYL KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF INFLAMMATION, ANGIOGENESIS AND CANCER AMGEN INC. (US) 2007-01-11 — — WO disclosed
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