SCHEMBL21779411

SCHEMBL21779411

NC(=O)c1cc(-c2cccc(C(=O)N3CCC(N4CCCC4)CC3)c2)cnc1N

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 2/20 0.60
▸ MERTK Q12866 2/20 0.60
▸ L3MBTL3 Q96JM7 12/20 0.59
▸ L3MBTL1 Q9Y468 10/20 0.59
▸ ATR Q13535 1/20 0.59
▸ BMPR1B O00238 2/20 0.57
▸ BMPR1A P36894 2/20 0.57
▸ TGFBR1 P36897 2/20 0.57
▸ ACVRL1 P37023 2/20 0.57
▸ ACVR1 Q04771 2/20 0.57
▸ L3MBTL4 Q8NA19 1/20 0.54
▸ MBTD1 Q05BQ5 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ TP53BP1 Q12888 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL18612197 0.89 MERTK (0.59) AXLMERTKL3MBTL3L3MBTL1ATR
SCHEMBL18615821 0.87 MERTK (0.58) AXLMERTKL3MBTL3L3MBTL1ATR
SCHEMBL18612199 0.85 L3MBTL3 (0.59) AXLMERTKL3MBTL3L3MBTL1ATR
SCHEMBL21779417 0.83 MERTK (0.64) AXLMERTKL3MBTL3L3MBTL1ATR
SCHEMBL18611892 0.83 MERTK (0.55) AXLMERTKL3MBTL3L3MBTL1MBTD1
SCHEMBL18617157 0.82 FYN (0.66) AXLMERTKL3MBTL1ATRBMPR1B
SCHEMBL18615511 0.80 BMPR1B (0.62) AXLMERTKL3MBTL3L3MBTL1BMPR1B
SCHEMBL2750408 0.78 ATR (0.57) AXLMERTKL3MBTL3L3MBTL1ATR
SCHEMBL30452813 0.78 MET (0.58) AXLMERTKL3MBTL3L3MBTL1ATR
SCHEMBL488047 0.78 MET (0.58) AXLMERTKL3MBTL3L3MBTL1ATR

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-3344613-B1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2020-03-04 — — EP disclosed
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