SCHEMBL31583017

SCHEMBL31583017

Cc1ccc(Br)c2c1c(C)nn2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPK8 P45983 2/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ MAPT P10636 7/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ GALR3 O60755 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL15996052 0.81 PIK3CD (0.33) LMNATP53THRBTLR9L3MBTL1
SCHEMBL16154713 0.74 PDE4A (0.33) LMNATP53MAPTPDE4APDE4B
SCHEMBL25976805 0.74 PDE4A (0.33) LMNATP53MAPTTSHRPDE4A
SCHEMBL13106346 0.69 LMNA (0.43) LMNATP53THRBTLR9L3MBTL1
SCHEMBL13106193 0.69 MAPK8 (0.36) LMNATP53L3MBTL1MAPK8MAPT
SCHEMBL25976838 0.67 PDE4A (0.33) LMNATP53MAPTKDM4ETSHR
SCHEMBL17544386 0.66 PIK3CD (0.30) —
SCHEMBL15995932 0.66 KDR (0.33) LMNAHTT
SCHEMBL15995757 0.66 PIK3CD (0.33) LMNA
SCHEMBL15995887 0.66 HTT (0.35) LMNAHTT

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-2025106644-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ALPHA-V BETA-1 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2025-05-22 — — WO disclosed
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