SCHEMBL24263509

SCHEMBL24263509

COc1ccc(CN(C)c2cc(Nc3cn(C)nc3OC)nn3c(C(=O)O)cnc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 1/20 0.35
▸ TYK2 P29597 5/20 0.34
▸ PDE4D Q08499 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ASPH Q12797 2/20 0.33
▸ KDM8 Q8N371 2/20 0.33
▸ RIOX2 Q8IUF8 1/20 0.33
▸ ZAP70 P43403 1/20 0.33
▸ KARS1 Q15046 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ TSPO P30536 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ PAK1 Q13153 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ PDGFRB P09619 1/20 0.32

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
SCHEMBL24263290 0.91 GAA (0.37) GPR6TYK2PDE4DSMN1; SMN2
SCHEMBL20504588 0.88 TYK2 (0.39) TYK2PDE4DSMN1; SMN2CLK1ZAP70
SCHEMBL24263403 0.86 TYK2 (0.48) TYK2PDE4DSMN1; SMN2KDM4EZAP70
SCHEMBL16794686 0.85 TYK2 (0.47) TYK2PDE4D
SCHEMBL16794699 0.83 TYK2 (0.41) TYK2PDE4DSMN1; SMN2PTPN1KDM4E
SCHEMBL24263413 0.83 TYK2 (0.41) TYK2PDE4DPTPN1TAS2R14
SCHEMBL20049469 0.83 TYK2 (0.46) TYK2PDE4DSMN1; SMN2
SCHEMBL31245711 0.82 TYK2 (0.43) TYK2PDE4D
SCHEMBL16794676 0.81 PDE1B (0.40) SMN1; SMN2PTPN1NR3C1PDE1BTAS2R14
SCHEMBL24263286 0.79 TYK2 (0.55) TYK2

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-2022037694-A1 A CLASS OF FIVE- AND SIX-MEMBERED HETEROCYCLIC COMPOUNDS AND USE THEREOF AS PROTEIN RECEPTOR KINASE INHIBITORS 轶诺(浙江)药业有限公司 2022-02-24 — — WO disclosed
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