SCHEMBL18615845

SCHEMBL18615845

CNC(=O)c1cc(-c2ccc(CN3CCN(C)CC3)cc2)cnc1N

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 11/20 0.62
▸ MERTK Q12866 10/20 0.62
▸ FLT3 P36888 1/20 0.59
▸ TYRO3 Q06418 1/20 0.59
▸ TNIK Q9UKE5 1/20 0.56
▸ BMPR1B O00238 5/20 0.55
▸ BMPR1A P36894 5/20 0.55
▸ ACVRL1 P37023 5/20 0.55
▸ ACVR1 Q04771 5/20 0.55
▸ TGFBR1 P36897 4/20 0.55
▸ MAP3K11 Q16584 1/20 0.52
▸ INSR P06213 1/20 0.52
▸ ALK Q9UM73 1/20 0.52
▸ PIK3C3 Q8NEB9 1/20 0.50

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
SCHEMBL18615786 0.88 AXL (0.57) AXLMERTKFLT3TYRO3TNIK
SCHEMBL18616643 0.82 AXL (0.66) AXLMERTKFLT3TYRO3BMPR1B
SCHEMBL18616607 0.81 MERTK (0.65) AXLMERTKBMPR1BBMPR1AACVRL1
SCHEMBL18579849 0.80 AXL (0.94) AXLMERTKFLT3TYRO3
SCHEMBL18617088 0.79 AXL (0.68) AXLMERTKFLT3TYRO3
SCHEMBL18580177 0.78 AXL (0.90) AXLMERTKFLT3TYRO3
SCHEMBL18615800 0.78 AXL (0.56) AXLMERTKFLT3TYRO3BMPR1B
SCHEMBL18580382 0.77 AXL (0.88) AXLMERTKFLT3TYRO3
SCHEMBL18580176 0.77 MERTK (1.00) AXLMERTKFLT3TYRO3
SCHEMBL18579696 0.77 AXL (0.97) AXLMERTKFLT3TYRO3

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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