SCHEMBL25719683

SCHEMBL25719683

COc1nn(C)cc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 4/20 0.45
TGFBR1 P36897 1/20 0.41
MAPK14 Q16539 1/20 0.41
KMT2A Q03164 2/20 0.41
PDE10A Q9Y233 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCN9A Q15858 1/20 0.38
PAX8 Q06710 1/20 0.38
PAK1 Q13153 1/20 0.38

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
SCHEMBL25731600 0.84 TGFBR1 (0.54) TGFBR1MAPK14KMT2APDE10ARAB9A
SCHEMBL21051591 0.82 ESR2 (0.41) TGFBR1MAPK14KMT2APDE10APAK1
Ammonia Solution, Strong SCHEMBL28862518 0.82 MAPK14 (0.43) TGFBR1MAPK14KMT2APDE10ARAB9A
SCHEMBL25731603 0.82 CYP11B1 (0.47) PDE10AGABRA1GABRG2GABRB3GABRA3
SCHEMBL25731622 0.82 JMJD6 (0.45) SQORTGFBR1MAPK14KMT2ARAB9A
SCHEMBL25731646 0.81 SCN9A (0.39) TGFBR1MAPK14KMT2APDE10ASCN9A
SCHEMBL25731605 0.80 F2RL3 (0.44) TGFBR1MAPK14PAK1
SCHEMBL174113 0.80 RXRA (0.44) PAK1
SCHEMBL28862516 0.78 PDE10A (0.40) TGFBR1MAPK14KMT2APDE10APAK1
SCHEMBL25731639 0.77 BRD4 (0.43) SQORKMT2AMAPTBRD4

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
WO-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107592-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed