SCHEMBL17848849

SCHEMBL17848849

CC(C)(C)N1CCN(C(=O)CN=[N+]=[N-])CC1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL27165476 0.86 ALDH1A1 (0.38) JAK2JAK1
SCHEMBL18803167 0.81 GAA (0.42) JAK2JAK1
SCHEMBL17820875 0.80 USP2 (0.45) —
SCHEMBL17848825 0.79 MEN1 (0.33) JAK2JAK1
SCHEMBL13655626 0.78 ATM (0.45) JAK2JAK1
SCHEMBL28395559 0.77 ATM (0.43) JAK2JAK1
SCHEMBL15832603 0.75 ALDH1A1 (0.53) JAK2JAK1
SCHEMBL16219481 0.74 HRH3 (0.37) HRH3
SCHEMBL29969222 0.74 CA2 (0.39) JAK2JAK1
SCHEMBL13655637 0.74 L3MBTL1 (0.48) —

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-3233863-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS CMG Pharmaceutical Co., Ltd. (KR) 2017-10-25 — — EP disclosed
WO-2016097869-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS CMG PHARMACEUTICAL CO., LTD. (KR) 2016-06-23 — — WO disclosed
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