SCHEMBL23986906

SCHEMBL23986906

CCc1nc(Cl)nc(N(C)CC(=O)NC(C)(C)C)c1CC

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CCR6 P51684 1/20 0.33
ATM Q13315 1/20 0.33
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL23975730 0.72 POLB (0.40) POLBKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL30225189 0.72 POLB (0.40) POLBKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL23975763 0.72 POLB (0.38) POLBKDM4EALDH1A1KMT2ADRD2
SCHEMBL23976200 0.71 DRD2 (0.32) POLBDRD2DRD4DRD3
SCHEMBL23991439 0.71 KDM4E (0.44) POLBKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL30225288 0.67 POLB (0.31) POLB
SCHEMBL23976187 0.67 POLB (0.31) POLB
SCHEMBL30225350 0.65 GAA (0.38) POLBKDM4EKMT2A
SCHEMBL23976386 0.64 GAA (0.39) POLBKDM4EALDH1A1CCR6ATM
SCHEMBL30225202 0.64 GAA (0.39) POLBKDM4EALDH1A1CCR6ATM

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-2021222363-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed