SCHEMBL21311550

SCHEMBL21311550

Cc1cccc2c1CN(C1CCC(=O)NC1)C2=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 6/20 0.49
▸ HTR2B P41595 8/20 0.49
▸ HTR2C P28335 5/20 0.49
▸ HTR2A P28223 3/20 0.49
▸ DDB1 Q16531 2/20 0.44
▸ IKZF3 Q9UKT9 2/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ TNF P01375 1/20 0.44
▸ IL1B P01584 1/20 0.44
▸ IKZF1 Q13422 1/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ PARP1 P09874 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ PARP11 Q9NR21 1/20 0.40
▸ MAP1LC3B Q9GZQ8 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ IKZF2 Q9UKS7 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
SCHEMBL21480839 0.85 CRBN (0.62) CRBNHTR2BHTR2CHTR2ADDB1
SCHEMBL27097876 0.85 CRBN (0.62) CRBNHTR2BHTR2CHTR2ADDB1
SCHEMBL22733298 0.85 CRBN (0.49) CRBNHTR2BHTR2CHTR2ADDB1
SCHEMBL25524508 0.84 CRBN (0.47) CRBNHTR2BHTR2CHTR2ADDB1
SCHEMBL20652629 0.84 HTR2B (0.53) CRBNHTR2BHTR2CHTR2ADDB1
SCHEMBL23319245 0.84 CRBN (0.47) CRBNHTR2BHTR2CHTR2ADDB1
SCHEMBL23959034 0.81 CRBN (0.46) CRBNHTR2BHTR2CHTR2ADDB1
SCHEMBL25671252 0.80 CRBN (0.47) CRBNDDB1IKZF3BRD4TNF
SCHEMBL20128653 0.79 CRBN (0.62) CRBNHTR2BHTR2CHTR2ADDB1
SCHEMBL23418102 0.78 CRBN (0.43) CRBNHTR2BHTR2CHTR2ADDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3795570-A1 SUBSTITUTED QUINOLINE-8-CARBONITRILE DERIVATIVES HAVING ANDROGEN RECEPTOR DEGRADATION ACTIVITY AND USES THEREOF Accutar Biotechnology Inc. (US) 2021-03-24 — — EP disclosed
WO-2020263935-A1 HCK DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-30 — — WO disclosed
WO-2020219650-A1 DEGRADERS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 — — WO disclosed
WO-2019165216-A1 SMALL MOLECULES THAT BLOCK PROTEASOME-ASSOCIATED UBIQUITIN RECEPTOR RPN13 FUNCTION AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-08-29 — — WO disclosed
Send feedback