SCHEMBL29194899

SCHEMBL29194899

Cc1nn(C)c2ccc(C(C)N[S@+]([O-])C(C)(C)C)cc12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ GRM4 Q14833 1/20 0.33
▸ QPCT Q16769 1/20 0.30
▸ LSS P48449 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
SCHEMBL29194901 1.00 ADORA2A (0.40) ADORA2AADORA2BGRM4QPCTLSS
SCHEMBL30031152 1.00 ADORA2A (0.40) ADORA2AADORA2BGRM4QPCTLSS
SCHEMBL24758367 1.00 ADORA2A (0.40) ADORA2AADORA2BGRM4QPCTLSS
SCHEMBL30032578 0.90 ADORA2A (0.40) ADORA2AADORA2BGRM4QPCTLSS
SCHEMBL29194818 0.90 ADORA2A (0.40) ADORA2AADORA2BGRM4QPCTLSS
SCHEMBL29194817 0.90 ADORA2A (0.40) ADORA2AADORA2BGRM4QPCTLSS
SCHEMBL29194821 0.90 ADORA2A (0.40) ADORA2AADORA2BGRM4QPCTLSS
SCHEMBL30200710 0.84 KDM4E (0.31) GRM4
SCHEMBL26648133 0.84 KDM4E (0.31) GRM4
SCHEMBL26648804 0.84 KDM4E (0.31) GRM4

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 3 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
CN-117916239-A 3-Substituted 1H-pyrrolo [2,3-b ] pyridines as GRK5 modulators 利德探索中心股份有限公司 2024-04-19 — — CN disclosed
WO-2023044046-A1 BCL-XL DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-03-23 — — WO disclosed
Send feedback