SCHEMBL10180545

SCHEMBL10180545

CCCOc1nc(N)nc(NC(=O)[C@H](C)N(C)c2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 4/20 0.41
▸ PRKD3 O94806 2/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ MAP4K2 Q12851 1/20 0.41
▸ PKN2 Q16513 1/20 0.41
▸ MAP4K5 Q9Y4K4 1/20 0.41
▸ MAPK9 P45984 3/20 0.36
▸ POLQ O75417 5/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CCR6 P51684 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL10180844 0.94 MAPK8 (0.43) MAPK8PRKD3MAP4K4MAP4K2PKN2
SCHEMBL10180785 0.89 PIK3CD (0.37) MAPK8MAPK9POLQMAPTLMNA
SCHEMBL10327478 0.84 ALDH1A1 (0.42) MAPK8PRKD3MAP4K4MAP4K2PKN2
SCHEMBL3459373 0.84 MAPK8 (0.42) MAPK8PRKD3MAP4K4MAP4K2PKN2
SCHEMBL10180924 0.82 MAPK8 (0.42) MAPK8PRKD3MAP4K4MAP4K2PKN2
SCHEMBL10181273 0.81 PIK3CD (0.37) MAPK8MAPK9POLQALDH1A1CTSK
SCHEMBL10180598 0.81 MAPK8 (0.45) MAPK8PRKD3MAP4K4MAP4K2PKN2
SCHEMBL10180176 0.81 MAPK8 (0.38) MAPK8PRKD3MAP4K4MAP4K2PKN2
SCHEMBL3459370 0.81 ALDH1A1 (0.43) MAPK8PRKD3MAP4K4MAP4K2PKN2
SCHEMBL10180401 0.79 RXFP1 (0.44) ALDH1A1MAPTCTSKPIK3CDPIK3R1

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
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP claimed
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