SCHEMBL12443884

SCHEMBL12443884

CC(=O)Nc1cccc(Nc2nc(C)nc(Nc3cccc(NC(C)=O)c3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.56
▸ CSNK2A1 P68400 2/20 0.55
▸ AURKA O14965 1/20 0.54
▸ AURKB Q96GD4 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ USP2 O75604 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ SYK P43405 1/20 0.53
▸ POLB P06746 2/20 0.53
▸ PTK2 Q05397 1/20 0.52
▸ NEK2 P51955 1/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ NR4A1 P22736 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ APOBEC3A P31941 1/20 0.51
▸ APOBEC3G Q9HC16 1/20 0.51
▸ KIT P10721 1/20 0.51

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
SCHEMBL12515414 0.86 MAP3K5 (0.58) MAP3K5HSD17B10CSNK2A1AURKAAURKB
SCHEMBL2219871 0.86 POLB (0.72) MAP3K5CSNK2A1AURKAAURKBALDH1A1
SCHEMBL21925740 0.84 MAP3K5 (0.59) MAP3K5HSD17B10CSNK2A1AURKAAURKB
SCHEMBL3246720 0.83 POLB (0.68) MAP3K5HSD17B10CSNK2A1AURKAAURKB
SCHEMBL12443882 0.80 MAP3K5 (0.52) MAP3K5HSD17B10CSNK2A1AURKAAURKB
SCHEMBL16928500 0.80 MAP3K5 (0.54) MAP3K5HSD17B10CSNK2A1AURKAAURKB
SCHEMBL21635739 0.79 RHOA (0.66) MAP3K5CSNK2A1ALDH1A1CYP1A2RAB9A
SCHEMBL13771495 0.79 ALDH1A1 (0.64) MAP3K5CSNK2A1AURKAAURKBALDH1A1
SCHEMBL1901172 0.79 ALDH1A1 (0.76) HSD17B10ALDH1A1SMN1; SMN2POLBCYP1A2
SCHEMBL13818459 0.79 RHOA (0.66) CSNK2A1AURKASMN1; SMN2SYKABL1

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-20110173763-A1 MODIFIED CELLULOSIC MATERIALS THE SECRETARY OF STATE FOR DEFENCE (GB) 2011-07-21 — — US disclosed
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