SCHEMBL6480339

SCHEMBL6480339

CCc1ccc(Oc2cnc(N)nc2Nc2ccc(O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
AURKA O14965 4/20 0.43
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CASP1 P29466 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TP53 P04637 2/20 0.39
CASP7 P55210 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.39
APAF1 O14727 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL6482639 0.89 AURKA (0.41) MAPTAURKAMEN1KMT2AUSP2
SCHEMBL6480285 0.87 AURKA (0.53) MAPTAURKAMEN1KMT2AUSP2
SCHEMBL6481407 0.87 AURKA (0.47) MAPTAURKAMEN1KMT2AUSP2
SCHEMBL6472908 0.84 TTBK1 (0.43) MAPTAURKAMEN1KMT2AUSP2
SCHEMBL5204622 0.84 SCN9A (0.51) AURKA
SCHEMBL6474471 0.84 BCL6 (0.49) MAPTAURKAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5203439 0.83 SCN9A (0.50) AURKA
SCHEMBL1375252 0.79 MAPT (0.41) MAPTMEN1KMT2AUSP2ALDH1A1
SCHEMBL5206436 0.74 MAPT (0.38) MAPTMEN1KMT2AUSP2ALDH1A1
SCHEMBL7157258 0.74 MERTK (0.42) MAPTNPC1RAB9ASMN1; SMN2

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