SCHEMBL7000174

SCHEMBL7000174

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.47
PLAU P00749 4/20 0.46
PLG P00747 2/20 0.44
CDK2 P24941 2/20 0.42
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK9 P50750 1/20 0.42
MAP4K4 O95819 1/20 0.42
FDPS P14324 1/20 0.40
DYRK1B Q9Y463 1/20 0.39
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
NR3C2 P08235 2/20 0.38
HDAC2 Q92769 2/20 0.38
SYK P43405 1/20 0.38
CSF1R P07333 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL6437497 0.80 PLAU (0.63) DYRK1APLAUPLGMAP4K4DYRK1B
SCHEMBL6436982 0.79 PLAU (0.47) DYRK1APLAUPLGCDK2CCNT1
SCHEMBL7000177 0.75 PLAU (0.80) DYRK1APLAUPLG
SCHEMBL11845968 0.72 PLAU (0.55) PLAU
SCHEMBL6433004 0.70 PLAU (0.65) PLAUPLGMAP4K4RAF1BRAF
SCHEMBL6435471 0.70 FDPS (0.50) PLAUPLGFDPS
SCHEMBL6436143 0.69 PLAU (0.59) PLAUPLGBRAF
SCHEMBL6440591 0.69 PLAU (0.50) PLAUMAP4K4RAF1BRAFHDAC2
SCHEMBL13738498 0.68 HDAC3 (0.38) PLAUPLGHDAC6
Hydrochloric Acid SCHEMBL6991115 0.68 PLAU (0.58) PLAUPLGBRAF

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-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