SCHEMBL13397489

SCHEMBL13397489

C=Cc1ccc2ccncc2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.46
IMPDH2 P12268 2/20 0.43
CYP3A4 P08684 10/20 0.42
MELK Q14680 1/20 0.41
CYP19A1 P11511 1/20 0.39
TBXAS1 P24557 1/20 0.39
ALDH1A1 P00352 1/20 0.39
IKBKB O14920 1/20 0.37
PRKCI P41743 1/20 0.36
TDO2 P48775 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL1519758 0.92 CYP3A4 (0.49) IMPDH2CYP3A4CYP19A1
SCHEMBL2006719 0.80 PRKCZ (0.46) PRKCZCYP3A4MELKCYP19A1TBXAS1
SCHEMBL2098638 0.78 ALDH1A1 (0.56) ALDH1A1
SCHEMBL29434157 0.78 ALDH1A1 (0.56) ALDH1A1
SCHEMBL30579893 0.77 ALDH1A1 (0.43) ALDH1A1
SCHEMBL22113182 0.77 ALDH1A1 (0.43) ALDH1A1
SCHEMBL2097335 0.75 ALDH1A1 (0.59) ALDH1A1
SCHEMBL29434184 0.75 ALDH1A1 (0.59) ALDH1A1
Pyridine SCHEMBL1875987 0.73 RELA (0.50) CYP3A4CYP19A1ALDH1A1
SCHEMBL10077016 0.73 PDGFRB (0.40) IMPDH2CSNK1DCSNK1ECLK1DYRK1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3341007-B1 MALT1 INHIBITORS AND USES THEREOF UNIV CORNELL (US) 2020-12-23 EP disclosed
EP-3633380-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 Taiho Pharmaceutical Co., Ltd. (JP) 2020-04-08 EP disclosed
WO-2018039621-A1 INHIBITION OF OLIG2 ACTIVITY Curtana Pharmaceuticals, Inc. (US) 2018-03-01 WO disclosed
EP-2177526-A1 10A-AZALIDE COMPOUND CROSSLINKED AT POSITION-10A AND POSITION-12 Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-21 EP disclosed