SCHEMBL21779434

SCHEMBL21779434

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 10/20 0.60
▸ MERTK Q12866 10/20 0.60
▸ BMPR1B O00238 4/20 0.53
▸ BMPR1A P36894 4/20 0.53
▸ TGFBR1 P36897 4/20 0.53
▸ ACVRL1 P37023 4/20 0.53
▸ ACVR1 Q04771 4/20 0.53
▸ CHEK1 O14757 1/20 0.51
▸ ACHE P22303 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.48
▸ GRM2 Q14416 1/20 0.47
▸ CYP11B2 P19099 1/20 0.44

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
SCHEMBL18616319 0.94 MERTK (0.58) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL24838113 0.94 MERTK (0.58) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18616320 0.90 AXL (0.60) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18616322 0.89 AXL (0.55) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18616643 0.88 AXL (0.66) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18616317 0.87 ACVR1 (0.56) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL28701689 0.87 AXL (0.50) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18615840 0.85 MERTK (0.58) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18617176 0.83 MERTK (0.57) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18617188 0.82 AXL (0.61) 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
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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