SCHEMBL18615806

SCHEMBL18615806

CN(C)C1CCN(Cc2cccc(-c3cnc(N)c(C(N)=O)c3)c2)C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 6/20 0.62
▸ MERTK Q12866 6/20 0.62
▸ GRM2 Q14416 1/20 0.47
▸ MAP4K4 O95819 5/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ NMT1 P30419 1/20 0.44
▸ JAK2 O60674 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ MELK Q14680 1/20 0.41
▸ AOC3 Q16853 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ PARP2 Q9UGN5 1/20 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
SCHEMBL21779421 0.89 AXL (0.61) AXLMERTKGRM2HDAC1JAK2
SCHEMBL18617188 0.89 AXL (0.61) AXLMERTKGRM2HDAC1JAK2
SCHEMBL18615785 0.82 AXL (0.64) AXLMERTKGRM2PIK3CBMELK
SCHEMBL18616276 0.81 AXL (0.58) AXLMERTKPIK3CBMELKLRRK2
SCHEMBL18616607 0.79 MERTK (0.65) AXLMERTKHDAC1
SCHEMBL18579792 0.78 AXL (1.00) AXLMERTK
SCHEMBL19102198 0.75 ATR (0.72) —
SCHEMBL24838113 0.75 MERTK (0.58) AXLMERTK
SCHEMBL18616319 0.75 MERTK (0.58) AXLMERTK
SCHEMBL18615840 0.75 MERTK (0.58) AXLMERTKPIK3CB

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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