SCHEMBL21779412

SCHEMBL21779412

CN1CCN(Cc2ccc(-c3cnc(N)c(C(N)=O)c3)cc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 10/20 0.56
▸ MERTK Q12866 9/20 0.56
▸ MET P08581 2/20 0.48
▸ BMPR1B O00238 2/20 0.47
▸ BMPR1A P36894 2/20 0.47
▸ TGFBR1 P36897 2/20 0.47
▸ ACVRL1 P37023 2/20 0.47
▸ ACVR1 Q04771 2/20 0.47
▸ PIK3CB P42338 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.46
▸ PIK3C3 Q8NEB9 1/20 0.44
▸ KIT P10721 1/20 0.43
▸ MAP3K11 Q16584 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ TYRO3 Q06418 1/20 0.42

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 0.84 AXL (0.57) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18616315 0.83 MERTK (0.60) AXLMERTKMETBMPR1BBMPR1A
SCHEMBL18616305 0.83 AXL (0.59) AXLMERTKMETBMPR1BBMPR1A
SCHEMBL18617171 0.82 AXL (0.49) AXLMERTKMETBMPR1BBMPR1A
SCHEMBL18616276 0.81 AXL (0.58) AXLMERTKPIK3CBLRRK2PIK3C3
SCHEMBL18616286 0.78 MERTK (0.55) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL16380633 0.75 ALDH1A1 (0.48) KIT
SCHEMBL18615800 0.74 AXL (0.56) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18615504 0.73 BMPR1B (0.68) AXLMERTKMETBMPR1BBMPR1A
SCHEMBL29042010 0.73 BMPR1B (0.60) 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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