SCHEMBL15964837

SCHEMBL15964837

NC(=O)c1nnc(Cc2cccc(F)c2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.46
NR3C2 P08235 1/20 0.44
GPR52 Q9Y2T5 1/20 0.44
MAOB P27338 2/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP1 P09874 1/20 0.42
MAOA P21397 1/20 0.41
RPS6KB1 P23443 1/20 0.41
DAO P14920 1/20 0.40
IDH1 O75874 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPK8 P45983 1/20 0.40
SLC1A1 P43005 1/20 0.40

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
SCHEMBL15964735 0.87 HCAR2 (0.53) HCAR2DAOIDH1TP53POLB
SCHEMBL15964821 0.84 NR3C2 (0.45) NR3C2MAOBPARP1RPS6KB1DAO
SCHEMBL19980277 0.83 POLB (0.46) HCAR2NR3C2IDH1TP53POLB
SCHEMBL30091541 0.82 PTGES (0.53) HCAR2TP53POLB
SCHEMBL15957045 0.82 PTGES (0.53) HCAR2TP53POLB
SCHEMBL15964865 0.82 MAOB (0.39) MAOBPARP10MAOA
SCHEMBL3210485 0.82 PLA2G10 (0.49) HCAR2DAO
SCHEMBL30091585 0.81 KDM5A (0.41) GPR52PARP1RPS6KB1DAOMAPK8
SCHEMBL30091689 0.80 RPS6KB1 (0.38) GPR52PARP10PARP1RPS6KB1
SCHEMBL30091570 0.79 GPR52 (0.43) GPR52RPS6KB1DAO

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 EP disclosed
EP-3375780-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 EP disclosed
EP-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 EP disclosed
EP-3342771-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2018-07-04 EP disclosed
WO-2014125444-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-08-21 WO disclosed