SCHEMBL21900864

SCHEMBL21900864

CC(=N)c1cc2c(cc1N)cc(C(C)C)n2-c1ccc(F)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.32
NOTUM Q6P988 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
SCHEMBL26652832 0.80 GRIN2B (0.33) NOTUM
SCHEMBL30176373 0.78 KDM4E (0.33) NOTUM
SCHEMBL23886767 0.78 KDM4E (0.33) NOTUM
SCHEMBL26652636 0.75 NR3C1 (0.33)
SCHEMBL23883773 0.75 NR3C1 (0.36)
SCHEMBL30234871 0.75 NR3C1 (0.36)
SCHEMBL23886957 0.74 PIK3CA (0.34)
SCHEMBL30176372 0.74 PIK3CA (0.34)
SCHEMBL29536350 0.71 TGFBR1 (0.42)
SCHEMBL21856715 0.71 TGFBR1 (0.42)

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-2020081257-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-23 WO disclosed