SCHEMBL6284733

SCHEMBL6284733

O=C(O)c1ccccc1C(=O)n1nc(/C=C/c2ccccn2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.39
FGFR1 P11362 2/20 0.39
KDR P35968 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ELANE P08246 5/20 0.38
F2 P00734 1/20 0.38
F12 P00748 1/20 0.38
LCK P06239 1/20 0.38
PADI4 Q9UM07 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
CYP1B1 Q16678 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
SCHEMBL6284735 1.00 RORC (0.39) RORCFGFR1KDRALDH1A1HSP90AA1
SCHEMBL5247183 0.69 KDR (0.70) FGFR1KDRLCK
SCHEMBL5247178 0.69 KDR (0.70) FGFR1KDRLCK
SCHEMBL30792324 0.69 CNR1 (0.50) FGFR1ALDH1A1MEN1NPC1RAB9A
Phthalic Acid SCHEMBL11600688 0.67 KDM4E (0.50) ALDH1A1HSP90AA1MEN1NPC1RAB9A
SCHEMBL6282592 0.65 ELANE (0.53) RORCELANEF2
SCHEMBL709588 0.63 MEN1 (0.55) KDRALDH1A1MEN1NPC1RAB9A
SCHEMBL709589 0.63 MEN1 (0.55) KDRALDH1A1MEN1NPC1RAB9A
SCHEMBL5331216 0.63 ELANE (0.43) RORCELANEF2
SCHEMBL2998381 0.63 PTGS1 (0.60) KDRALDH1A1MEN1NPC1RAB9A

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
US-6891044-B2 Indazole compounds and pharmaceutical compositions for Inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-05-10 US disclosed