SCHEMBL29894012

SCHEMBL29894012

Nc1cc(Cl)nc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
DPP4 P27487 2/20 0.45
KIF11 P52732 2/20 0.44
HRH4 Q9H3N8 1/20 0.42
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.41
CASP3 P42574 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
BACE1 P56817 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CASP1 P29466 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 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
SCHEMBL22234018 0.88 KIF11 (0.52) S1PR1S1PR3DPP4KIF11HRH4
SCHEMBL5217538 0.88 S1PR1 (0.51) S1PR1S1PR3DPP4KIF11HRH4
SCHEMBL28071862 0.83 ADORA2A (0.59) DPP4KIF11HRH4LMNATHRB
SCHEMBL28879162 0.83 ADORA3 (0.52) S1PR1S1PR3DPP4KIF11LMNA
SCHEMBL8031410 0.80 LMNA (0.62) S1PR1S1PR3DPP4KIF11HRH4
SCHEMBL5672174 0.79 HTT (0.46) HRH4LMNAADORA2AADORA1NPC1
SCHEMBL7228785 0.78 KIF11 (0.52) S1PR1S1PR3DPP4KIF11LMNA
SCHEMBL3898550 0.78 ADORA2A (0.72) DPP4KIF11LMNAADORA3ADORA2A
SCHEMBL3156245 0.77 ADORA2A (0.66) DPP4LMNAADORA3ADORA2AADORA1
SCHEMBL3898780 0.76 ADORA2A (0.51) DPP4KIF11HRH4LMNATHRB

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