SCHEMBL30200569

SCHEMBL30200569

CC(C)(C)Cn1cc(I)cn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.40
FFAR1 O14842 2/20 0.39
PDK2 Q15119 3/20 0.36
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
JAK1 P23458 2/20 0.30
JAK3 P52333 2/20 0.30
JAK2 O60674 1/20 0.30
TYK2 P29597 1/20 0.30

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
SCHEMBL26389026 0.84 AR (0.41) ARFFAR1PDK2
SCHEMBL12017377 0.84 AR (0.41) ARFFAR1PDK2
SCHEMBL15518451 0.84 FFAR1 (0.37) ARFFAR1
SCHEMBL1819606 0.84 FFAR1 (0.55) ARFFAR1PDK2JAK1JAK3
SCHEMBL1845692 0.81 FFAR1 (0.36) ARFFAR1
SCHEMBL9275281 0.81 FFAR1 (0.39) ARFFAR1JAK1JAK3JAK2
SCHEMBL23022274 0.80 AR (0.41) ARFFAR1
SCHEMBL16876130 0.80 FFAR1 (0.41) ARFFAR1ADORA2AJAK1JAK3
SCHEMBL16876129 0.80 FFAR1 (0.41) ARFFAR1ADORA2AJAK1JAK3
SCHEMBL2378629 0.79 AR (0.38) ARFFAR1

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-4401729-A1 BCL-XL DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-07-24 EP disclosed
WO-2023044046-A1 BCL-XL DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-03-23 WO disclosed