SCHEMBL24426173

SCHEMBL24426173

CC(C)(C)OC1CN(C(=O)NCc2ccc(-c3ccnc4c3N4N=O)cc2C(F)(F)F)C1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.69
▸ EPHX2 P34913 2/20 0.36
▸ P2RX7 Q99572 8/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CD69 Q07108 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ MAP3K19 Q56UN5 1/20 0.34
▸ CDKL2 Q92772 1/20 0.34
▸ RIOK1 Q9BRS2 1/20 0.34
▸ RIOK2 Q9BVS4 1/20 0.34
▸ BMP2K Q9NSY1 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
SCHEMBL19876260 0.82 BTK (1.00) BTKEPHX2P2RX7JAK2CYP3A4
SCHEMBL16793886 0.79 BTK (0.66) BTKEPHX2P2RX7JAK2CYP3A4
SCHEMBL16794015 0.75 BTK (0.60) BTKEPHX2P2RX7
SCHEMBL16794073 0.73 BTK (0.83) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL28125942 0.72 BTK (0.54) BTKEPHX2P2RX7
SCHEMBL16794271 0.71 BTK (0.59) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16793991 0.71 BTK (0.71) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16793836 0.71 BTK (0.74) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL18170489 0.71 BTK (0.70) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16793906 0.70 BTK (0.71) BTKJAK2CYP3A4HRH2CDK7

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-3500569-B1 2-OXO-IMIDAZOPYRIDINES AS REVERSIBLE BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-05-18 — — EP disclosed
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