SCHEMBL31065349

SCHEMBL31065349

COc1cc(Br)cnc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.38
KDR P35968 1/20 0.38
RUNX1 Q01196 1/20 0.38
BRAF P15056 1/20 0.38
SCN5A Q14524 2/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
VCAM1 P19320 1/20 0.37
ABL1 P00519 3/20 0.36
CYP2C9 P11712 2/20 0.36
KCNH2 Q12809 2/20 0.36
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SCN1A P35498 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN2A Q99250 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
SCHEMBL31065344 0.85 NPBWR1 (0.35) SCN5AICAM1SELEVCAM1KCNH2
SCHEMBL31065345 0.85 NPBWR1 (0.35) SCN5AICAM1SELEVCAM1KCNH2
SCHEMBL31065386 0.83 SCN5A (0.39) SCN5AABL1CYP2C9KCNH2CYP1A2
SCHEMBL31065370 0.78 SCN5A (0.35) SCN5AABL1CYP2C9KCNH2CYP1A2
SCHEMBL5878919 0.76 SLC6A4 (0.52) SCN5AKCNH2CYP2D6SCN1ASCN9A
SCHEMBL5878557 0.76 DHODH (0.43) SMN1; SMN2MEN1KMT2A
SCHEMBL5878875 0.75 SLC6A2 (0.46) GPBAR1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8916 0.73 PIK3CA (0.49) SMN1; SMN2MAPTKMT2ANPSR1ALDH1A1
SCHEMBL29611762 0.73 PIK3CA (0.49) SMN1; SMN2MAPTKMT2ANPSR1ALDH1A1
SCHEMBL21801782 0.72 SCN5A (0.40) SCN5AKCNH2SCN1ASCN9ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4602044-A1 SUBSTITUTED 3,7-DIHYDRO-1 H-PURINE-2,6-DIONES AND USE THEREOF invIOs GmbH (AT) 2025-08-20 EP disclosed
WO-2024133605-A1 SUBSTITUTED 3,7-DIHYDRO-1 H-PURINE-2,6-DIONES AND USE THEREOF INVIOS GMBH (AT) 2024-06-27 WO disclosed