SCHEMBL25296850

SCHEMBL25296850

O=C(O)N1CC=C(c2ccc3[nH]c4nc[nH]c(=O)c4c3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 5/20 0.39
▸ LIMK2 P53671 5/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTR1D P28221 5/20 0.38
▸ HTR1B P28222 5/20 0.38
▸ QDPR P09417 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ PARP1 P09874 2/20 0.38
▸ PARP2 Q9UGN5 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ USP2 O75604 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CASP3 P42574 1/20 0.36

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
SCHEMBL30484043 0.86 CNR1 (0.48) ALK
SCHEMBL31017627 0.86 CNR1 (0.48) ALK
SCHEMBL25294762 0.81 LIMK1 (0.33) LIMK1LIMK2LMNAKMT2AMAPT
SCHEMBL25830945 0.78 BRD4 (0.48) —
SCHEMBL30484036 0.78 BRD4 (0.48) —
SCHEMBL25262518 0.76 LIMK1 (0.41) LIMK1LIMK2SMN1; SMN2MEN1LMNA
SCHEMBL28827483 0.74 SMN1; SMN2 (0.40) LIMK1LIMK2SMN1; SMN2MEN1LMNA
SCHEMBL16262603 0.74 QDPR (0.47) SMN1; SMN2MEN1LMNAKMT2AHPGD
SCHEMBL25252564 0.73 KDM4E (0.52) SMN1; SMN2MEN1LMNAKMT2AHPGD
SCHEMBL28435263 0.73 MAPT (0.50) SMN1; SMN2MEN1LMNAKMT2AHPGD

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-2023125907-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 — — WO disclosed
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