SCHEMBL31455144

SCHEMBL31455144

Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.47
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
RORC P51449 3/20 0.43
KDM4E B2RXH2 1/20 0.42
NR1H2 P55055 1/20 0.41
NAMPT P43490 1/20 0.41
USP30 Q70CQ3 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL14225756 0.89 PDE4B (0.53) PDE4BHDAC1HDAC2USP30MEN1
SCHEMBL21381911 0.88 PDE4B (0.49) PDE4BRORCKDM4ENR1H2NAMPT
SCHEMBL30149865 0.88 PDE4B (0.49) PDE4BRORCKDM4ENR1H2NAMPT
SCHEMBL12479918 0.87 NAMPT (0.52) PDE4BKDM4ENAMPTKMT2A
SCHEMBL15174834 0.86 PDE4B (0.46) PDE4BHDAC1HDAC2RORCKDM4E
SCHEMBL15173613 0.86 HDAC1 (0.49) PDE4BHDAC1HDAC2RORCKDM4E
SCHEMBL24583221 0.85 PDE4B (0.47) PDE4BRORCKDM4ENR1H2NAMPT
SCHEMBL15173515 0.85 PDE4B (0.45) PDE4BHDAC1HDAC2RORCKDM4E
SCHEMBL30273467 0.84 HDAC2 (0.50) PDE4BHDAC1HDAC2RORCKDM4E
SCHEMBL25036969 0.84 HDAC2 (0.50) PDE4BHDAC1HDAC2RORCKDM4E

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed