SCHEMBL18616305

SCHEMBL18616305

NC(=O)c1cc(-c2ccc(CN3CCC(N)C3)c(F)c2)cnc1N

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 9/20 0.59
▸ MERTK Q12866 9/20 0.59
▸ BMPR1B O00238 1/20 0.47
▸ BMPR1A P36894 1/20 0.47
▸ TGFBR1 P36897 1/20 0.47
▸ ACVRL1 P37023 1/20 0.47
▸ ACVR1 Q04771 1/20 0.47
▸ MET P08581 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ MAPK1 P28482 4/20 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
SCHEMBL18616324 0.87 AXL (0.46) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18615840 0.85 MERTK (0.58) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18616315 0.85 MERTK (0.60) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL21779412 0.83 AXL (0.56) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18616320 0.79 AXL (0.60) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18617176 0.78 MERTK (0.57) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18580983 0.76 AXL (1.00) AXLMERTK
SCHEMBL21779419 0.74 MERTK (0.61) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL24838113 0.74 MERTK (0.58) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18616319 0.74 MERTK (0.58) AXLMERTKBMPR1BBMPR1ATGFBR1

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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