SCHEMBL14715522

SCHEMBL14715522

Cc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1-c1nc(N)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
PKM P14618 3/20 0.53
STAT3 P40763 10/20 0.51
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
THRB P10828 1/20 0.51
MAPK9 P45984 1/20 0.51
TNF P01375 1/20 0.48
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48
POLB P06746 3/20 0.48
ATG4B Q9Y4P1 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
CDK2 P24941 1/20 0.44

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
SCHEMBL14715638 0.86 ADORA2A (0.46) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5498481 0.80 LCK (0.57) NPC1RAB9AMEN1KMT2APKM
SCHEMBL14715526 0.77 TAS1R3 (0.48) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL30505243 0.77 MEN1 (0.65) NPC1RAB9AMEN1KMT2APKM
SCHEMBL14715517 0.75 POLB (0.58) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL1804666 0.73 NPC1 (0.76) NPC1RAB9AMEN1KMT2APKM
SCHEMBL14715491 0.73 MAPT (0.47) NPC1RAB9AMEN1KMT2APKM
SCHEMBL14715473 0.73 ADORA2A (0.45) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL10252930 0.72 STAT3 (0.80) NPC1RAB9AMEN1KMT2APKM
SCHEMBL14715496 0.72 PLAU (0.53) NPC1RAB9AMEN1KMT2AMAPT

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-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed