SCHEMBL24671144

SCHEMBL24671144

COc1cc(N2CCC(CO)CC2)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 5/20 0.48
▸ PDE7A Q13946 1/20 0.46
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTR7 P34969 2/20 0.40
▸ ACHE P22303 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ DPP4 P27487 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30801207 1.00 SUV39H2 (0.48) SUV39H2PDE7AMAPTMEN1LMNA
SCHEMBL1912064 0.84 SUV39H2 (0.47) SUV39H2PDE7AMAPTLMNAMAPK1
SCHEMBL1911948 0.83 SUV39H2 (0.46) SUV39H2PDE7AMAPTACHEALDH1A1
SCHEMBL18640030 0.82 SUV39H2 (0.49) SUV39H2PDE7AMAPTACHEALDH1A1
SCHEMBL24670695 0.81 ADRB1 (0.41) SUV39H2MAPTMEN1LMNAKMT2A
SCHEMBL30066216 0.81 ADRB1 (0.41) SUV39H2MAPTMEN1LMNAKMT2A
SCHEMBL1912084 0.80 SUV39H2 (0.44) SUV39H2PDE7AMAPTLMNAACHE
SCHEMBL30768476 0.79 MAPT (0.42) SUV39H2MAPTMEN1LMNAKMT2A
SCHEMBL16431871 0.79 SUV39H2 (0.47) SUV39H2MAPTMEN1LMNAKMT2A
SCHEMBL23705839 0.79 ALDH1A1 (0.55) SUV39H2MAPTMEN1LMNAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117693502-A Compounds for inhibiting or degrading ITK, compositions comprising the same, methods of making the same, and methods of using the same 纽力克斯治疗公司 2024-03-12 — — CN disclosed
WO-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 — — WO disclosed
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