SCHEMBL24670592

SCHEMBL24670592

O=C1CCC(c2ccc(N3CC4(CCNC4)C3)nc2)C(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 16/20 0.45
DDB1 Q16531 15/20 0.45
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 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
SCHEMBL30066703 1.00 CRBN (0.45) CRBNDDB1ALDH1A1HPGDHSD17B10
SCHEMBL25219414 0.91 CRBN (0.49) CRBNDDB1POLB
SCHEMBL31306892 0.90 CRBN (0.47) CRBNDDB1ALDH1A1HPGDHSD17B10
SCHEMBL31470530 0.82 CRBN (0.44) CRBNDDB1POLB
SCHEMBL29990395 0.82 CRBN (0.63) CRBNDDB1POLB
SCHEMBL24881033 0.82 CRBN (0.63) CRBNDDB1POLB
SCHEMBL25074521 0.82 CRBN (0.63) CRBNDDB1POLB
SCHEMBL29208470 0.82 CRBN (0.63) CRBNDDB1POLB
SCHEMBL31470511 0.81 CRBN (0.43) CRBNDDB1POLB
Hydrochloric Acid SCHEMBL29220529 0.81 CRBN (0.61) CRBNDDB1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed