SCHEMBL5741763

SCHEMBL5741763

Cc1cc(N)c2cc(Nc3cc(C(F)(F)F)nc(N)n3)ccc2n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 4/20 0.62
TERT O14746 8/20 0.62
GNG2 P59768 2/20 0.50
GNB1 P62873 2/20 0.50
MEN1 O00255 1/20 0.50
MMP1 P03956 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
RAC1 P63000 2/20 0.49
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
MCHR1 Q99705 1/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL5742553 0.86 DOT1L (0.78) DOT1LTERTGNG2GNB1MEN1
SCHEMBL5742129 0.83 KDM4E (0.55) DOT1LTERTKMT2AMCHR1
SCHEMBL5742713 0.82 DOT1L (0.56) DOT1LTERTGNG2GNB1MEN1
SCHEMBL5743755 0.81 KDM4E (0.55) DOT1LTERTMCHR1MAPT
SCHEMBL5744288 0.80 KDM4E (0.56) DOT1LTERTMCHR1MAPTCYP1A2
SCHEMBL5742668 0.80 KDM4E (0.58) ALOX15KMT2AMAPT
SCHEMBL5740513 0.79 KDM4E (0.44) DOT1LTERTMCHR1
SCHEMBL5740994 0.78 PDE4D (0.47) DOT1LMCHR1MAPT
SCHEMBL5741412 0.77 DOT1L (0.57) DOT1LTERTGNG2GNB1MEN1
SCHEMBL13039513 0.76 DOT1L (0.74) DOT1LTERTGNG2GNB1MEN1

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
EP-1339706-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-04-19 EP disclosed