SCHEMBL6472908

SCHEMBL6472908

Nc1ncc(Oc2ccc(Br)cc2)c(Nc2ccc(O)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALK Q9UM73 1/20 0.40
MGMT P16455 1/20 0.40
AURKA O14965 4/20 0.39
MAPT P10636 7/20 0.39
BCL6 P41182 2/20 0.38
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 3/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
SYK P43405 1/20 0.37
KCNH2 Q12809 2/20 0.37
SCN9A Q15858 2/20 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
SCHEMBL6480285 0.88 AURKA (0.53) TTBK1TTBK2MEN1KMT2ANPC1
SCHEMBL6481407 0.88 AURKA (0.47) TTBK1TTBK2MEN1KMT2ANPC1
SCHEMBL5204622 0.88 SCN9A (0.51) TTBK1TTBK2AURKABCL6KCNH2
SCHEMBL6474471 0.87 BCL6 (0.49) TTBK1TTBK2MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL5203439 0.86 SCN9A (0.50) TTBK1TTBK2AURKABCL6KCNH2
SCHEMBL6480339 0.84 MAPT (0.44) MEN1KMT2ANPC1RAB9AAURKA
SCHEMBL6482639 0.81 AURKA (0.41) MEN1KMT2ANPC1RAB9AAURKA
SCHEMBL6474012 0.77 BCL6 (0.52) TTBK1TTBK2MEN1KMT2AAURKA
SCHEMBL5206828 0.76 MAPT (0.39) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6482628 0.75 BCL6 (0.44) AURKAMAPTBCL6KDM4EKCNH2

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