SCHEMBL23189201

SCHEMBL23189201

CCC(C)C(=O)c1cc(Cc2cccc(Br)c2)[nH]n1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.67
PARP1 P09874 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
PTGES O14684 1/20 0.36
TACR3 P29371 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL23189124 0.86 HCAR2 (0.65) HCAR2TACR3
SCHEMBL5083084 0.81 HCAR2 (1.00) HCAR2
SCHEMBL23189200 0.80 HCAR2 (0.78) HCAR2PARP1
SCHEMBL15964753 0.80 HCAR2 (0.69) HCAR2PTGES
SCHEMBL23189233 0.76 HCAR2 (0.52) HCAR2TACR3
SCHEMBL23189273 0.75 HCAR2 (0.43) HCAR2
SCHEMBL23189249 0.74 HCAR2 (0.70) HCAR2TACR3
SCHEMBL23188999 0.74 HCAR2 (0.46) HCAR2RAB9A
SCHEMBL23189158 0.70 HCAR2 (0.72) HCAR2TACR3
SCHEMBL3957160 0.68 HCAR2 (0.59) HCAR2PARP1

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-3508484-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-04-07 EP disclosed