SCHEMBL13730481

SCHEMBL13730481

Nc1cc(Cl)cnc1Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 2/20 0.53
EGFR P00533 8/20 0.48
GAA P10253 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HTT P42858 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
GFER P55789 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX12 P18054 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL7687919 0.83 AURKA (0.49) EGFRGAAALDH1A1TDP1HTT
SCHEMBL18338088 0.82 KMT2A (0.54) BCL6EGFRGAAALDH1A1TDP1
SCHEMBL6384523 0.82 EGFR (0.38) BCL6EGFRHTTABL1ABL2
SCHEMBL4902552 0.81 RAB9A (0.51) EGFRGAAALDH1A1HTTMAPT
SCHEMBL10138755 0.79 IGF1R (0.46) BCL6EGFRGAAALDH1A1TDP1
SCHEMBL6564572 0.79 BCL6 (0.45) BCL6EGFRKDM4ECYP3A4PIN1
SCHEMBL19432441 0.79 MAPT (0.50) BCL6EGFRGAAALDH1A1TDP1
SCHEMBL18434110 0.79 SYK (0.50) BCL6EGFRABL1JAK2LRRK2
SCHEMBL13506355 0.79 BCL6 (0.57) BCL6EGFRGAAALDH1A1TDP1
SCHEMBL1624893 0.77 MAPKAPK2 (0.44) ABL1

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
WO-2012146667-A1 IMIDAZOPYRIDINE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2012-11-01 WO disclosed