SCHEMBL29892907

SCHEMBL29892907

CC(C)(C)c1ccc(-c2ncnc3cc(F)ccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.47
TNKS O95271 1/20 0.44
PARP1 P09874 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
KIT P10721 7/20 0.41
ADORA2A P29274 1/20 0.39
BTK Q06187 2/20 0.37
PDGFRB P09619 1/20 0.37
FLT3 P36888 1/20 0.37
MAP3K19 Q56UN5 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAP4K4 O95819 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
GCGR P47871 1/20 0.36
TRPA1 O75762 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
SCHEMBL24795216 0.83 DHODH (0.36) DHODHTNKSPARP1TNKS2TRPV1
SCHEMBL26224291 0.78 ADORA2A (0.66) TNKSTNKS2KITADORA2ABTK
SCHEMBL29986864 0.78 ADORA2A (0.66) TNKSTNKS2KITADORA2ABTK
SCHEMBL12775436 0.74 TRPA1 (0.40) MAP4K4KMT2ATRPA1
SCHEMBL21141124 0.74 KIT (0.70) KITKMT2A
SCHEMBL24795222 0.70 TRPV1 (0.37) TRPV1KITADORA2ABTK
SCHEMBL24795831 0.70 RXRA (0.38) PARP1TRPV1KITADORA2ABTK
SCHEMBL17666810 0.69 ADORA2A (0.72) KITADORA2AALDH1A1MAP4K4
SCHEMBL29986591 0.69 ADORA2A (0.72) KITADORA2AALDH1A1MAP4K4
SCHEMBL24795225 0.69 TRPV1 (0.37) PARP1TRPV1KITADORA2ABTK

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-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 EP disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 WO disclosed