SCHEMBL14404232

SCHEMBL14404232

CNc1ccc2nn[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.40
MEN1 O00255 1/20 0.34
APAF1 O14727 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
PABPC1 P11940 1/20 0.34
MMP14 P50281 1/20 0.34
BLM P54132 1/20 0.34
CASP6 P55212 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 1/20 0.34
APP P05067 8/20 0.33
MAPT P10636 3/20 0.33
ERBB2 P04626 3/20 0.31
SNCA P37840 1/20 0.31
SULT1A1 P50225 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30

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
SCHEMBL11888071 0.85 EGFR (0.40) EGFRMEN1APAF1NPC1POLB
SCHEMBL12233431 0.80 TP53 (0.31) ARMAPT
SCHEMBL12257076 0.80 AR (0.38) EGFRPOLBARMAPT
SCHEMBL13744148 0.79 ALDH1A1 (0.50) MEN1NPC1POLBBLMKMT2A
SCHEMBL11307021 0.78 KDM4E (0.51) MEN1NPC1POLBPABPC1KMT2A
SCHEMBL14556766 0.74 BACE1 (0.38) MEN1POLBKMT2AAR
SCHEMBL13715799 0.74 KIF11 (0.43) EGFRMEN1NPC1KMT2AMAPT
SCHEMBL2611832 0.74 KMT2A (0.43) NPC1POLBKMT2AMAPT
SCHEMBL29424103 0.74 KMT2A (0.43) NPC1POLBKMT2AMAPT
SCHEMBL29424102 0.74 KMT2A (0.43) NPC1POLBKMT2AMAPT

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
WO-2018136935-A1 2-ARYLSULFONAMIDO-N-ARYLACETAMIDE DERIVATIZED STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2018-07-26 WO disclosed
WO-2007118602-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION BAYER HEALTHCARE AG (DE) 2007-10-25 WO disclosed
WO-2007085540-A1 1H-INDAZ0L-4-YL-2 , 4-PYRIMIDINEDIAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-08-02 WO disclosed
WO-2007028445-A1 6-INDOLYL-4-YL-AMINO-5-HALOGENO-2-PYRIMIDINYL-AMINO DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-03-15 WO disclosed