SCHEMBL6474012

SCHEMBL6474012

Nc1ncc(Oc2ccccc2Cl)c(Nc2ccc(O)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 2/20 0.52
KCNH2 Q12809 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
AURKA O14965 5/20 0.45
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
AURKB Q96GD4 3/20 0.41
CDK2 P24941 1/20 0.41
EGFR P00533 2/20 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
SCHEMBL6482628 0.86 BCL6 (0.44) BCL6KCNH2SCN5ASCN9AAURKA
SCHEMBL6474471 0.84 BCL6 (0.49) BCL6SCN5ASCN9AAURKATTBK1
SCHEMBL5204622 0.81 SCN9A (0.51) BCL6KCNH2SCN5ASCN9AAURKA
Hydrochloric Acid SCHEMBL5203439 0.81 SCN9A (0.50) BCL6KCNH2SCN5ASCN9AAURKA
SCHEMBL6474741 0.79 SCN5A (0.42) BCL6KCNH2SCN5ASCN9AAURKA
SCHEMBL6480285 0.77 AURKA (0.53) AURKATTBK1TTBK2MAPTALDH1A1
SCHEMBL6472908 0.77 TTBK1 (0.43) BCL6KCNH2SCN5ASCN9AAURKA
SCHEMBL6481407 0.77 AURKA (0.47) BCL6KCNH2SCN5ASCN9AAURKA
SCHEMBL6480339 0.74 MAPT (0.44) AURKAMAPTGAAALDH1A1MEN1
SCHEMBL5203804 0.73 MAPK14 (0.47) BCL6FLT3GSK3BMAPK14

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