SCHEMBL18616643

SCHEMBL18616643

CNC(=O)c1cc(-c2ccc(CN3CCCC(O)C3)cc2)cnc1N

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 16/20 0.66
▸ MERTK Q12866 15/20 0.66
▸ BMPR1B O00238 3/20 0.59
▸ BMPR1A P36894 3/20 0.59
▸ TGFBR1 P36897 3/20 0.59
▸ ACVRL1 P37023 3/20 0.59
▸ ACVR1 Q04771 3/20 0.59
▸ CHEK1 O14757 1/20 0.50
▸ ACHE P22303 1/20 0.50
▸ FLT3 P36888 1/20 0.49
▸ TYRO3 Q06418 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
SCHEMBL21779434 0.88 AXL (0.60) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18616607 0.84 MERTK (0.65) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL24838113 0.82 MERTK (0.58) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18616319 0.82 MERTK (0.58) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18615845 0.82 AXL (0.62) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18580228 0.80 AXL (1.00) AXLMERTK
SCHEMBL19806892 0.79 ACVR1 (0.77) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL18616320 0.78 AXL (0.60) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL28701689 0.78 AXL (0.50) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18616322 0.77 AXL (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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