SCHEMBL24263490

SCHEMBL24263490

COc1ccc(CN(C)c2cc(Nc3cc(F)ccc3OC)nn3c(C(=O)N[C@@H]4CCN(C)C4=O)cnc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 17/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ HPGDS O60760 1/20 0.40
▸ PDE4D Q08499 4/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL24263415 0.92 TYK2 (0.40) TYK2STAT3HPGDSPDE4DCNR1
SCHEMBL24263262 0.86 TYK2 (0.40) TYK2STAT3HPGDSPDE4D
SCHEMBL24263383 0.85 TYK2 (0.47) TYK2STAT3HPGDS
SCHEMBL24263492 0.83 TYK2 (0.53) TYK2STAT3PDE4D
SCHEMBL24263496 0.83 HPGDS (0.46) TYK2STAT3HPGDSCNR2
SCHEMBL24263263 0.83 HPGDS (0.46) TYK2STAT3HPGDSCNR2
SCHEMBL24263260 0.83 HPGDS (0.46) TYK2STAT3HPGDSCNR2
SCHEMBL24263278 0.83 TYK2 (0.56) TYK2STAT3
SCHEMBL24263411 0.83 TYK2 (0.57) TYK2STAT3
SCHEMBL24263413 0.80 TYK2 (0.41) TYK2PDE4D

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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