SCHEMBL30132028

SCHEMBL30132028

Cc1cc2nc(CN(C)CC(=O)N(C)c3cccc(F)c3)[nH]c(=O)c2s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.43
PIM2 Q9P1W9 4/20 0.43
CDC7 O00311 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
ROCK1 Q13464 2/20 0.40
DBF4 Q9UBU7 2/20 0.40
ALDH1A1 P00352 4/20 0.39
ALPL P05186 2/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PDE5A O76074 1/20 0.38
KMT2A Q03164 3/20 0.37
ALPI P09923 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 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
SCHEMBL23723612 1.00 PIM1 (0.43) PIM1PIM2CDC7CCNE1CDK2
SCHEMBL30132032 0.84 CDC7 (0.41) PIM1PIM2CDC7CCNE1CDK2
SCHEMBL23723615 0.84 CDC7 (0.41) PIM1PIM2CDC7CCNE1CDK2
SCHEMBL30120693 0.83 ALDH1A1 (0.47) ALDH1A1ALPLKDM4EKMT2AALPI
SCHEMBL26521621 0.83 ALDH1A1 (0.47) ALDH1A1ALPLKDM4EKMT2AALPI
SCHEMBL26521619 0.83 ALDH1A1 (0.47) ALDH1A1ALPLKDM4EKMT2AALPI
SCHEMBL30132092 0.83 ALDH1A1 (0.47) ALDH1A1ALPLKDM4EKMT2AALPI
SCHEMBL23723530 0.83 PIM1 (0.42) PIM1PIM2ALDH1A1ALPLKDM4E
SCHEMBL30132088 0.83 PIM1 (0.42) PIM1PIM2ALDH1A1ALPLKDM4E
SCHEMBL30120633 0.82 ALDH1A1 (0.45) ALDH1A1ALPLKDM4EKMT2AALPI

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
EP-4100015-A1 COMBINATION THERAPY FOR TREATING MPS1 Gain Therapeutics SA (CH) 2022-12-14 EP disclosed