SCHEMBL24156506

SCHEMBL24156506

Cn1nc(Br)cc1NCCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ ALDH1A1 P00352 7/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HRH4 Q9H3N8 2/20 0.33
▸ POLB P06746 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ CDK1 P06493 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31

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
SCHEMBL25833641 0.72 — —
SCHEMBL20552967 0.68 BCHE (0.32) —
SCHEMBL20269577 0.67 — —
SCHEMBL23666011 0.67 ALDH1A1 (0.38) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL17196465 0.66 — —
SCHEMBL21780784 0.66 ALDH1A1 (0.54) MAPK1MEN1GAAKMT2AKDM4E
SCHEMBL26620307 0.65 — —
SCHEMBL19271750 0.64 MAPK14 (0.47) RAB9ALMNASMN1; SMN2MAPTMAPK14
SCHEMBL20835959 0.63 GAA (0.42) MAPK1MEN1GAAKMT2AKDM4E
SCHEMBL5377662 0.63 CDK1 (0.39) MAPK1MEN1GAAKMT2AKDM4E

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-2021259208-A1 TYK-2 INHIBITOR BEIGENE, LTD. (KY) 2021-12-30 — — WO disclosed
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