SCHEMBL26967333

SCHEMBL26967333

CN(c1nc(Cl)nc2c(F)c(Br)c(C(F)(F)F)cc12)[C@@H]1CCN(C(=O)O)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 4/20 0.34
▸ BTK Q06187 5/20 0.33
▸ JAK2 O60674 4/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ JAK1 P23458 3/20 0.32
▸ PGR P06401 4/20 0.31
▸ CYP2D6 P10635 4/20 0.31
▸ CYP2C9 P11712 4/20 0.31
▸ SMO Q99835 2/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ TYK2 P29597 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL26967428 1.00 FAAH (0.34) FAAHBTKJAK2JAK3JAK1
SCHEMBL27123932 0.90 BTK (0.35) BTKJAK2JAK3JAK1TYK2
SCHEMBL26967316 0.90 BTK (0.35) BTKJAK2JAK3JAK1TYK2
SCHEMBL29141043 0.89 USP30 (0.39) JAK2JAK1CYP2C9
SCHEMBL29141026 0.89 USP30 (0.39) JAK2JAK1CYP2C9
SCHEMBL26967423 0.88 BTK (0.34) BTKJAK2JAK3JAK1TYK2
SCHEMBL29222093 0.85 JAK1 (0.42) BTKJAK2JAK3JAK1CYP2C9
SCHEMBL29222123 0.82 KRAS (0.33) —
SCHEMBL29222268 0.81 USP30 (0.40) CYP2C9
SCHEMBL25251739 0.81 PIK3CD (0.36) BTK

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
EP-4294799-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS Theras Inc. (US) 2023-12-27 — — EP disclosed
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