SCHEMBL20114738

SCHEMBL20114738

N/N=C(\N)c1cccc(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.55
PRSS1 P07477 4/20 0.55
PRSS2 P07478 4/20 0.55
PRSS3 P35030 4/20 0.55
PLG P00747 1/20 0.55
PBRM1 Q86U86 1/20 0.48
CYP3A4 P08684 1/20 0.46
CASP1 P29466 1/20 0.46
RECQL P46063 1/20 0.46
NOS1 P29475 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL17730485 0.83 F2 (0.55) F2PRSS1PRSS2PRSS3PLG
SCHEMBL2481256 0.83 F2 (0.55) F2PRSS1PRSS2PRSS3PLG
SCHEMBL31650872 0.83 F2 (0.55) F2PRSS1PRSS2PRSS3PLG
SCHEMBL8312824 0.83 F2 (0.55) F2PRSS1PRSS2PRSS3PLG
SCHEMBL17354740 0.81 F2 (0.53) F2PRSS1PRSS2PRSS3PLG
SCHEMBL18891443 0.79 PBRM1 (0.55) F2PRSS1PRSS2PRSS3PLG
SCHEMBL20114737 0.78 F2 (0.55) F2PRSS1PRSS2PRSS3PLG
SCHEMBL26234540 0.77 PARP1 (0.59) TDP1MEN1KMT2ARAB9ALMNA
SCHEMBL16543881 0.77 C1S (0.59) MEN1KMT2AGAAPOLBSMN1; SMN2
SCHEMBL4157209 0.77 MEN1 (0.57) F2PRSS1PRSS2PRSS3PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023130054-A2 HETEROARYL COMPOUNDS AS INHIBITORS OF IRAK4, COMPOSITIONS AND APPLICATIONS THEREOF ACCRO BIOSCIENCE (HK) LIMITED (CN) 2023-07-06 WO disclosed
WO-2019040992-A1 SYNTHETIC DERIVATIVES OF OLEOYL-LYSOPHOSPHATIDYLINOSITOL (OLEOLYL-LPI) AND USES THEREOF CURTIN UNIVERSITY (AU) 2019-03-07 WO disclosed
EP-2616450-B1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2018-05-02 EP disclosed