SCHEMBL29626807

SCHEMBL29626807

COc1cccc(-c2cnn(-c3cccc(C(C)Sc4nncn4C)c3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 19/20 0.46
ALDH1A2 O94788 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALDH1A3 P47895 1/20 0.42

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
SCHEMBL29640068 1.00 CBLB (0.46) CBLBALDH1A2ALDH1A1ALDH1A3
SCHEMBL22944997 1.00 CBLB (0.46) CBLBALDH1A2ALDH1A1ALDH1A3
SCHEMBL28741775 1.00 CBLB (0.46) CBLBALDH1A2ALDH1A1ALDH1A3
SCHEMBL28741835 0.92 CBLB (0.47) CBLB
SCHEMBL22945410 0.92 CBLB (0.47) CBLB
SCHEMBL22945291 0.89 CBLB (0.52) CBLB
SCHEMBL22945301 0.89 CBLB (0.52) CBLB
SCHEMBL28741797 0.89 CBLB (0.52) CBLB
SCHEMBL29626650 0.89 CBLB (0.52) CBLB
SCHEMBL22945832 0.87 CBLB (0.53) CBLB

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
EP-4003965-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION Nurix Therapeutics, Inc. (US) 2022-06-01 EP disclosed