SCHEMBL6480285

SCHEMBL6480285

COc1ccc(Oc2cnc(N)nc2Nc2ccc(O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.53
MAPT P10636 7/20 0.52
KMT2A Q03164 4/20 0.48
TSHR P16473 3/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NR4A1 P22736 1/20 0.44
LTA4H P09960 1/20 0.44
BRAF P15056 1/20 0.44
SYK P43405 1/20 0.43
MAPK1 P28482 2/20 0.43
TTBK1 Q5TCY1 1/20 0.43

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
SCHEMBL6481407 0.90 AURKA (0.47) AURKAMAPTKMT2ATSHRMEN1
SCHEMBL5204622 0.88 SCN9A (0.51) AURKATTBK1TTBK2
SCHEMBL6472908 0.88 TTBK1 (0.43) AURKAMAPTKMT2ATSHRMEN1
SCHEMBL6474471 0.87 BCL6 (0.49) AURKAMAPTKMT2ATSHRMEN1
SCHEMBL6480339 0.87 MAPT (0.44) AURKAMAPTKMT2ATSHRMEN1
Hydrochloric Acid SCHEMBL5203439 0.86 SCN9A (0.50) AURKATTBK1TTBK2
SCHEMBL6482639 0.83 AURKA (0.41) AURKAMAPTKMT2ATSHRMEN1
SCHEMBL6473728 0.82 MAPT (0.50) MAPTKMT2ATSHRMEN1LMNA
SCHEMBL3245349 0.79 APP (0.50) AURKAMAPTKMT2ATSHRMEN1
Hydrochloric Acid SCHEMBL3254112 0.78 APP (0.49) AURKAMAPTKMT2ATSHRMEN1

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-6916820-B1 Neurotrophic substituted pyrimidines KRENITSKY PHARMACEUTICALS, INC. (US) 2005-07-12 US claimed