SCHEMBL16857688

SCHEMBL16857688

COc1cccc(-c2n[nH]c3c(C4CCCCC4)cnc(N)c23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.45
▸ ABL1 P00519 4/20 0.43
▸ EGFR P00533 4/20 0.43
▸ SRC P12931 4/20 0.43
▸ ABL2 P42684 3/20 0.43
▸ BTK Q06187 1/20 0.43
▸ ADORA2A P29274 2/20 0.42
▸ LRRK2 Q5S007 3/20 0.40
▸ FYN P06241 3/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ HCK P08631 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ EPHB4 P54760 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ HRH2 P25021 1/20 0.39

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
SCHEMBL3618779 0.77 ADORA2A (0.59) ADORA2APIK3CAPIK3CGHRH2HRH3
SCHEMBL16857690 0.76 FEN1 (0.34) ABL1EGFRSRCPIK3CDHCK
SCHEMBL145785 0.72 SRC (0.56) GAAABL1EGFRSRCABL2
SCHEMBL2405655 0.69 KDM1A (0.46) ADORA2ALRRK2FYNPIK3CGHRH2
SCHEMBL3766647 0.67 LRRK2 (0.61) GAAADORA2ALRRK2ALDH1A1ALOX5
SCHEMBL14985513 0.67 MEN1 (0.57) GAAADORA2AALDH1A1HTTHIF1A
SCHEMBL15117084 0.66 ADORA2A (0.65) GAAADORA2AALDH1A1HTTHIF1A
SCHEMBL16654524 0.65 ADORA2A (0.42) GAABTKADORA2APIK3CGHRH2
SCHEMBL5753689 0.65 DPP4 (0.56) GAAADORA2APIK3CAPIK3CGHRH2
SCHEMBL29930966 0.65 KIT (0.50) GAABTKADORA2AALDH1A1ADORA1

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-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 — — EP disclosed
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