SCHEMBL18615840

SCHEMBL18615840

NC(=O)c1cc(-c2ccc(CN3CCC(N)C3)cc2)cnc1N

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 15/20 0.58
▸ AXL P30530 15/20 0.58
▸ BMPR1B O00238 3/20 0.48
▸ BMPR1A P36894 3/20 0.48
▸ TGFBR1 P36897 3/20 0.48
▸ ACVRL1 P37023 3/20 0.48
▸ ACVR1 Q04771 3/20 0.48
▸ FLT3 P36888 1/20 0.43
▸ TYRO3 Q06418 1/20 0.43
▸ PIK3CB P42338 1/20 0.43

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
SCHEMBL18616320 0.94 AXL (0.60) MERTKAXLBMPR1BBMPR1ATGFBR1
SCHEMBL18617176 0.93 MERTK (0.57) MERTKAXLBMPR1BBMPR1ATGFBR1
SCHEMBL18616319 0.89 MERTK (0.58) MERTKAXLBMPR1BBMPR1ATGFBR1
SCHEMBL24838113 0.89 MERTK (0.58) MERTKAXLBMPR1BBMPR1ATGFBR1
SCHEMBL18616317 0.87 ACVR1 (0.56) MERTKAXLBMPR1BBMPR1ATGFBR1
SCHEMBL21779421 0.85 AXL (0.61) MERTKAXLBMPR1BBMPR1ATGFBR1
SCHEMBL18617188 0.85 AXL (0.61) MERTKAXLBMPR1BBMPR1ATGFBR1
SCHEMBL21779434 0.85 AXL (0.60) MERTKAXLBMPR1BBMPR1ATGFBR1
SCHEMBL18616305 0.85 AXL (0.59) MERTKAXLBMPR1BBMPR1ATGFBR1
SCHEMBL18616322 0.84 AXL (0.55) MERTKAXLBMPR1BBMPR1ATGFBR1

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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