SCHEMBL26645524

SCHEMBL26645524

CC(C)(C)OC(=O)N1CCn2nc(Nc3ccc(Cl)cc3F)c(-c3ccncc3)c2C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 0.52
▸ USP30 Q70CQ3 1/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ CYP3A5 P20815 2/20 0.44
▸ GPR119 Q8TDV5 3/20 0.41
▸ NUDT1 P36639 1/20 0.40
▸ RIPK3 Q9Y572 1/20 0.39
▸ CSNK1E P49674 4/20 0.38
▸ CSNK1D P48730 3/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ TRPC3 Q13507 1/20 0.37
▸ TRPC6 Q9Y210 1/20 0.37

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
SCHEMBL26645717 0.86 MKNK1 (0.55) MKNK1USP30CYP3A4CYP3A5GPR119
SCHEMBL26645116 0.84 CYP3A4 (0.45) MKNK1USP30CYP3A4CYP3A5GPR119
SCHEMBL26644971 0.84 EGFR (0.42) MKNK1NUDT1CSNK1ECSNK1DGRM5
SCHEMBL30622820 0.83 CYP3A4 (0.43) MKNK1USP30CYP3A4CYP3A5GPR119
SCHEMBL26645098 0.83 CYP3A4 (0.43) MKNK1USP30CYP3A4CYP3A5GPR119
SCHEMBL26645199 0.83 JAK2 (0.43) CSNK1ECSNK1DPRKCI
SCHEMBL26645791 0.81 GALR2 (0.46) MKNK1CSNK1ECSNK1DALK
SCHEMBL30623109 0.81 GALR2 (0.46) MKNK1CSNK1ECSNK1DALK
SCHEMBL26645230 0.81 BUB1 (0.47) CSNK1ECSNK1D
SCHEMBL26645254 0.80 MAPT (0.48) MKNK1GPR119CSNK1ECSNK1D

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-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
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