SCHEMBL24426211

SCHEMBL24426211

CNc1c(-c2ccc(CNC(=O)c3nc(C(C)(C)C)no3)cc2CO)ccnc1NC=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 17/20 0.42
▸ LCK P06239 1/20 0.39
▸ AURKA O14965 1/20 0.33
▸ FGR P09769 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MINK1 Q8N4C8 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL19876242 0.78 BTK (0.55) BTKLCK
SCHEMBL17645641 0.72 BTK (0.60) BTKLCK
SCHEMBL27462708 0.68 BTK (0.64) BTKLCK
SCHEMBL19878118 0.63 BTK (0.38) BTKLCKPOLBKMT2ASMN1; SMN2
SCHEMBL27457768 0.63 BTK (0.54) BTKLCKKMT2A
SCHEMBL30950500 0.63 BTK (0.67) BTKLCK
SCHEMBL17645776 0.63 BTK (0.67) BTKLCK
SCHEMBL30950558 0.63 BTK (0.54) BTKLCKKMT2A
SCHEMBL19876263 0.62 BTK (0.60) BTKLCK
SCHEMBL30950479 0.62 BTK (0.53) BTKLCK

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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