SCHEMBL26645327

SCHEMBL26645327

COc1ccc(-c2nn3c(c2-c2ccncc2)CN(C(=O)OC(C)(C)C)CC3)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 8/20 0.41
▸ CSNK1D P48730 6/20 0.41
▸ RORC P51449 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39
▸ DYRK1A Q13627 1/20 0.38
▸ CPS1 P31327 2/20 0.37
▸ GALR2 O43603 1/20 0.37
▸ GALR1 P47211 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ BTK Q06187 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
SCHEMBL26645116 0.90 CYP3A4 (0.45) CSNK1ECSNK1DRORCGPR119
SCHEMBL26645412 0.88 CSNK1E (0.42) CSNK1ECSNK1DRORCGPR119
SCHEMBL30623117 0.87 CSNK1E (0.41) CSNK1ECSNK1DRORCGPR119BTK
SCHEMBL26645531 0.87 CSNK1E (0.49) CSNK1ECSNK1DRORCGPR119BTK
SCHEMBL26645399 0.86 CSNK1E (0.46) CSNK1ECSNK1DGPR119ALDH1A1HTT
SCHEMBL26645082 0.86 RYR2 (0.41) CSNK1ECSNK1DCPS1PDE4APDE4B
SCHEMBL26645379 0.86 CSNK1E (0.44) CSNK1ECSNK1D
SCHEMBL30622835 0.86 CSNK1E (0.44) CSNK1ECSNK1D
SCHEMBL30622820 0.85 CYP3A4 (0.43) CSNK1ECSNK1DRORCGPR119
SCHEMBL26645098 0.85 CYP3A4 (0.43) CSNK1ECSNK1DRORCGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4519265-A1 IRREVERSIBLE MUTEGFR INHIBITORS Bayer Aktiengesellschaft (DE) 2025-03-12 — — EP disclosed
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
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