SCHEMBL31184577

SCHEMBL31184577

O=C1c2cccc(Br)c2CN1C1CC=CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ PIM1 P11309 1/20 0.39
▸ CSNK1A1 P48729 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ DYRK1B Q9Y463 1/20 0.39
▸ HTR2C P28335 5/20 0.38
▸ HTR2B P41595 5/20 0.38
▸ HTR2A P28223 4/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CRBN Q96SW2 2/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ PARP11 Q9NR21 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ TNF P01375 1/20 0.36
▸ IL1B P01584 1/20 0.36
▸ IKZF1 Q13422 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
Hydrochloric Acid SCHEMBL31184864 0.82 HTR2B (0.48) MAPK1PIM1CSNK1A1CDK5ROCK1
SCHEMBL31185072 0.81 MAPK1 (0.49) MAPK1PIM1CSNK1A1CDK5ROCK1
SCHEMBL31184760 0.76 MAPK1 (0.40) MAPK1PIM1CSNK1A1CDK5ROCK1
SCHEMBL30659847 0.76 PARP1 (0.49) MAPK1HTR2CHTR2BHTR2ACDK4
SCHEMBL31184759 0.76 MAPK1 (0.40) MAPK1PIM1CSNK1A1CDK5ROCK1
SCHEMBL22733298 0.76 CRBN (0.49) MAPK1PIM1CSNK1A1CDK5ROCK1
SCHEMBL5501922 0.75 CRBN (0.38) MAPK1PIM1CSNK1A1CDK5ROCK1
SCHEMBL31184880 0.74 MAPK1 (0.45) MAPK1LRRK2HTR2CHTR2BHTR2A
SCHEMBL31184839 0.74 IDH1 (0.39) MAPK1HTR2CHTR2BHTR2ACDK4
SCHEMBL1333882 0.73 PIM1 (0.46) PIM1CSNK1A1CDK5ROCK1DYRK1A

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-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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