SCHEMBL18615399

SCHEMBL18615399

CN1CCC(CNCc2ccc(-c3cnc(N)c(C=O)c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 10/20 0.43
▸ AXL P30530 10/20 0.43
▸ SLC2A1 P11166 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.40
▸ PIK3C3 Q8NEB9 2/20 0.40
▸ BMPR1B O00238 3/20 0.39
▸ BMPR1A P36894 3/20 0.39
▸ ACVRL1 P37023 3/20 0.39
▸ ACVR1 Q04771 3/20 0.39
▸ TGFBR1 P36897 2/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ TYRO3 Q06418 1/20 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
SCHEMBL18611170 0.84 MERTK (0.48) MERTKAXLHDAC1PIK3C3BMPR1B
SCHEMBL18580406 0.73 AXL (0.83) MERTKAXL
SCHEMBL18617173 0.72 HRH3 (0.50) LRRK2
SCHEMBL18615349 0.71 MERTK (0.61) MERTKAXLPIK3C3BMPR1BBMPR1A
SCHEMBL4089510 0.70 MET (0.55) MERTKAXLBMPR1AACVRL1ACVR1
SCHEMBL23686815 0.69 CXCR4 (0.50) —
SCHEMBL18617171 0.67 AXL (0.49) MERTKAXLLRRK2BMPR1BBMPR1A
SCHEMBL18615838 0.67 MAP4K4 (0.51) MAP4K4
SCHEMBL16293110 0.66 KDM2B (0.38) —
SCHEMBL18611756 0.66 MERTK (0.61) MERTKAXLPIK3C3BMPR1BBMPR1A

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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