SCHEMBL19892033

SCHEMBL19892033

CC(C)(C)OC1CN(C(=O)NCN)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.37
▸ NAMPT P43490 1/20 0.34
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ TPSAB1 Q15661 4/20 0.31
▸ TPSD1 Q9BZJ3 4/20 0.31
▸ TPSG1 Q9NRR2 4/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NR1H2 P55055 1/20 0.30
▸ RBP4 P02753 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
SCHEMBL17663698 0.85 KMT2A (0.50) BTKNAMPTKMT2ALMNA
SCHEMBL19886208 0.81 BTK (0.36) BTKNAMPTKMT2A
SCHEMBL17664667 0.79 POLB (0.45) BTKATMNR1H2RBP4
SCHEMBL17660260 0.75 SMN1; SMN2 (0.42) BTKKMT2A
SCHEMBL20026858 0.74 ATM (0.41) BTKATMNR1H2
SCHEMBL20054041 0.74 BTK (0.37) BTK
SCHEMBL21165813 0.73 CHRNB2 (0.48) NAMPTATMNR1H2
SCHEMBL11998894 0.72 CHRNB2 (0.43) ATMNR1H2
SCHEMBL2937689 0.72 ATM (0.34) ATMNR1H2RBP4
SCHEMBL17663700 0.72 EPHX2 (0.35) 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
WO-2018035080-A1 2-OXO-IMIDAZOPYRIDINES AS REVERSIBLE BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-02-22 — — WO disclosed
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