SCHEMBL7000177

SCHEMBL7000177

COc1ccc(-c2ccc3ccnc(N=C(N)N)c3c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLAU P00749 17/20 0.80
PLG P00747 9/20 0.71
PLAT P00750 5/20 0.57
DYRK1A Q13627 2/20 0.48
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
ATP4A P20648 1/20 0.44
RAB9A P51151 1/20 0.44
ATP4B P51164 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
SCHEMBL6437504 0.78 PLAU (1.00) PLAUPLGPLAT
SCHEMBL6436984 0.78 PLAU (0.73) PLAUPLGPLAT
SCHEMBL7000174 0.75 DYRK1A (0.47) PLAUPLGDYRK1A
SCHEMBL6440595 0.68 PLAU (0.75) PLAUPLGPLATATP4AATP4B
SCHEMBL6433009 0.68 PLAU (1.00) PLAUPLGPLATATP4AATP4B
SCHEMBL13251161 0.67 MAP4K4 (0.46) PLAUPLGDYRK1ANPC1RAB9A
SCHEMBL28147639 0.67 HSD17B1 (0.68) DYRK1ANPC1RAB9A
SCHEMBL20733139 0.66 MAP4K4 (0.56) DYRK1ANPC1RAB9A
SCHEMBL24573026 0.65 DYRK1A (0.60) DYRK1AMAPT
SCHEMBL22120045 0.65 LMNA (0.79) DYRK1ANPC1MAPTRAB9A

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-1023268-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LTD (GB) 2003-05-21 EP disclosed
US-6248738-B1 ANTIULCER AGENTS, ANGIOGENESIS INHIBITORS, ANTIMETASTASIS AGENTS, ANTITUMOR AGENTS PFIZER INC. 2001-06-19 US disclosed
EP-1023268-A1 ISOQUINOLINES AS UROKINASE INHIBITORS Pfizer Limited (GB) 2000-08-02 EP disclosed
WO-1999020608-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LIMITED (GB) 1999-04-29 WO disclosed