SCHEMBL21779419

SCHEMBL21779419

NC(=O)c1cc(-c2ccc(CN3CCC(N4CCCC4)CC3)c(N)c2)cnc1N

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 9/20 0.61
▸ AXL P30530 8/20 0.61
▸ ACVR1 Q04771 7/20 0.45
▸ BMPR1B O00238 6/20 0.44
▸ BMPR1A P36894 6/20 0.44
▸ TGFBR1 P36897 6/20 0.44
▸ ACVRL1 P37023 6/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.43
▸ PIK3CB P42338 1/20 0.42
▸ IKBKE Q14164 2/20 0.41
▸ TBK1 Q9UHD2 2/20 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
SCHEMBL18616315 0.90 MERTK (0.60) MERTKAXLACVR1BMPR1BBMPR1A
SCHEMBL18615387 0.90 MERTK (0.65) MERTKAXLACVR1BMPR1BBMPR1A
SCHEMBL18611887 0.87 MERTK (0.59) MERTKAXLACVR1BMPR1BBMPR1A
SCHEMBL18612199 0.82 L3MBTL3 (0.59) MERTKAXL
SCHEMBL18612197 0.78 MERTK (0.59) MERTKAXLACVR1BMPR1BBMPR1A
SCHEMBL18581004 0.77 AXL (1.00) MERTKAXL
SCHEMBL18611892 0.77 MERTK (0.55) MERTKAXLPIK3CB
SCHEMBL21779411 0.75 AXL (0.60) MERTKAXLACVR1BMPR1BBMPR1A
SCHEMBL18616305 0.74 AXL (0.59) MERTKAXLACVR1BMPR1BBMPR1A
SCHEMBL18616317 0.74 ACVR1 (0.56) MERTKAXLACVR1BMPR1BBMPR1A

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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