SCHEMBL18616276

SCHEMBL18616276

CN1CCN(Cc2cccc(-c3cnc(N)c(C(N)=O)c3)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 7/20 0.58
▸ MERTK Q12866 6/20 0.58
▸ PARP1 P09874 4/20 0.57
▸ PIK3CB P42338 1/20 0.48
▸ PARP2 Q9UGN5 1/20 0.48
▸ PARP3 Q9Y6F1 1/20 0.48
▸ CHRM3 P20309 2/20 0.47
▸ CHEK1 O14757 1/20 0.46
▸ MAP3K11 Q16584 1/20 0.46
▸ MELK Q14680 1/20 0.45
▸ PIK3C3 Q8NEB9 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ TYRO3 Q06418 1/20 0.45
▸ PLK4 O00444 1/20 0.45

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
SCHEMBL18615786 0.88 AXL (0.57) AXLMERTKPARP1PIK3CBPARP2
SCHEMBL18615806 0.81 AXL (0.62) AXLMERTKPARP1PIK3CBPARP2
SCHEMBL21779412 0.81 AXL (0.56) AXLMERTKPIK3CBMAP3K11PIK3C3
SCHEMBL18615708 0.81 AXL (0.62) AXLMERTKPIK3CBPIK3C3
SCHEMBL18617157 0.79 FYN (0.66) AXLMERTKPIK3CBMAP3K11PIK3C3
SCHEMBL18615800 0.78 AXL (0.56) AXLMERTKPIK3CBCHEK1MAP3K11
SCHEMBL18616286 0.77 MERTK (0.55) AXLMERTKPIK3CBMAP3K11PIK3C3
SCHEMBL18615845 0.76 AXL (0.62) AXLMERTKMAP3K11PIK3C3FLT3
SCHEMBL16042922 0.75 PARP1 (0.59) PARP1PARP2PARP3CHRM3CHEK1
SCHEMBL31669248 0.75 PARP1 (0.54) AXLMERTKPARP1PARP2PARP3

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-3344613-B1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2020-03-04 — — EP disclosed
WO-2017039331-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2017-03-09 — — WO disclosed
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