SCHEMBL17282985

SCHEMBL17282985

CC(C)(C)OC(=O)N1CCN(c2ncnc3[nH]c(Br)cc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIT P10721 11/20 0.69
MAP4K4 O95819 1/20 0.46
KCNH2 Q12809 1/20 0.44
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
JAK3 P52333 2/20 0.43
TLR9 Q9NR96 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT3 P36888 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL15689398 0.87 KIT (0.70) KITMAP4K4KCNH2SMARCA2SMARCA4
SCHEMBL15689394 0.82 KIT (1.00) KIT
SCHEMBL21170671 0.82 KIT (0.48) KIT
SCHEMBL2272116 0.81 KIT (0.62) KITPDGFRB
SCHEMBL30945074 0.81 KIT (0.64) KITJAK3
SCHEMBL28367516 0.81 KIT (0.64) KITJAK3
SCHEMBL5067873 0.80 KIT (0.55) KITMAP4K4KCNH2SMARCA2SMARCA4
SCHEMBL15516007 0.79 KIT (0.70) KITPDGFRB
SCHEMBL14782331 0.79 MAP4K4 (0.57) KITMAP4K4KCNH2SMARCA2SMARCA4
SCHEMBL2253309 0.79 AKT1 (0.57) KITMAP4K4

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-2015178955-A1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS Eternity Bioscience Inc. (US) 2015-11-26 WO disclosed