SCHEMBL31128243

SCHEMBL31128243

Cc1ncc(Br)cc1N1CCC[C@H]1CO

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ CDK1 P06493 2/20 0.38
▸ ADORA2A P29274 3/20 0.37
▸ ADORA1 P30542 3/20 0.37
▸ AOC3 Q16853 2/20 0.37
▸ ADORA3 P0DMS8 2/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.36
▸ MAP2K7 O14733 1/20 0.36
▸ SOS1 Q07889 2/20 0.36
▸ PDK2 Q15119 2/20 0.35
▸ PDK4 Q16654 1/20 0.35

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
SCHEMBL31727317 0.79 CUL4A (0.45) MKNK1MKNK2CHRNB2CHRNA4CDK1
SCHEMBL31128199 0.78 MKNK1 (0.40) MKNK1MKNK2CDK1ADORA2AADORA1
SCHEMBL18149378 0.77 HDAC6 (0.51) MKNK1MKNK2CDK1ADORA2AADORA1
SCHEMBL18150064 0.77 HDAC6 (0.51) MKNK1MKNK2CDK1ADORA2AADORA1
SCHEMBL18149381 0.77 HDAC6 (0.51) MKNK1MKNK2CDK1ADORA2AADORA1
SCHEMBL14778806 0.73 CHRNB2 (0.47) MKNK1MKNK2CHRNB2CHRNA4ADORA2A
SCHEMBL15205316 0.73 MKNK1 (0.44) MKNK1MKNK2CDK1ADORA2AADORA1
SCHEMBL21812384 0.73 MKNK1 (0.44) MKNK1MKNK2CDK1ADORA2AADORA1
SCHEMBL14778803 0.73 CHRNB2 (0.47) MKNK1MKNK2CHRNB2CHRNA4ADORA2A
SCHEMBL24269736 0.71 FFAR1 (0.39) MKNK1MKNK2CDK1ADORA2AADORA1

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-2024166131-A1 HETEROARYL COMPOUNDS AS PKMYT1 INHIBITORS SATYARX PHARMA INNOVATIONS PRIVATE LIMITED (IN) 2024-08-15 — — WO disclosed
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