SCHEMBL628191

SCHEMBL628191

O=C(Nc1ccccc1)C(Br)C(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.64
ATM Q13315 3/20 0.64
RAB9A P51151 3/20 0.64
NPC1 O15118 2/20 0.64
HSP90AA1 P07900 2/20 0.64
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
GPR55 Q9Y2T6 2/20 0.53
POLB P06746 1/20 0.52
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 4/20 0.47
LMNA P02545 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TP53 P04637 1/20 0.47
EPHX1 P07099 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL9068980 0.86 POLB (0.61) GAAATMRAB9ANPC1HSP90AA1
SCHEMBL6629360 0.84 THRB (0.51) GAAATMRAB9ANPC1HSP90AA1
SCHEMBL9157991 0.82 POLB (0.57) GAAATMRAB9ANPC1HSP90AA1
SCHEMBL9158000 0.82 POLB (0.57) GAAATMRAB9ANPC1HSP90AA1
SCHEMBL10875758 0.80 RAB9A (0.65) GAARAB9ANPC1MEN1KMT2A
SCHEMBL330776 0.80 TDP1 (0.56) GAAATMRAB9ANPC1HSP90AA1
SCHEMBL6846422 0.79 MAPT (0.62) GAAATMRAB9ANPC1HSP90AA1
SCHEMBL1800895 0.78 POLB (0.61) GAAATMRAB9ANPC1HSP90AA1
SCHEMBL11257733 0.78 ATM (1.00) GAAATMRAB9ANPC1HSP90AA1
SCHEMBL14890948 0.78 GAA (0.64) GAAATMRAB9ANPC1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1820503-B1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PFIZER ITALIA SRL (IT) 2012-02-22 EP disclosed
EP-1432416-B1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER ITALIA SRL (IT) 2011-01-19 EP disclosed
US-7511136-B2 Aminoindazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-03-31 US disclosed
EP-1820503-A2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them Pfizer Italia S.r.l. (IT) 2007-08-22 EP disclosed