SCHEMBL28786386

SCHEMBL28786386

Cc1nccnc1-c1nn2c(=O)cc(-c3ccc(OC(c4ccccc4)C(F)(F)F)cc3)[nH]c2c1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.32
BTK Q06187 2/20 0.31
SCN9A Q15858 1/20 0.30
HDAC3 O15379 2/20 0.30
ERBB2 P04626 2/20 0.30
HDAC4 P56524 2/20 0.30
HDAC1 Q13547 2/20 0.30
HDAC7 Q8WUI4 2/20 0.30
HDAC2 Q92769 2/20 0.30
HDAC10 Q969S8 2/20 0.30
HDAC11 Q96DB2 2/20 0.30
HDAC8 Q9BY41 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
HDAC9 Q9UKV0 2/20 0.30
HDAC5 Q9UQL6 2/20 0.30
ERCC1 P07992 1/20 0.30
FEN1 P39748 1/20 0.30
ERCC4 Q92889 1/20 0.30
KDM4C Q9H3R0 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
SCHEMBL30172844 0.92 PLAT (0.39)
SCHEMBL24835003 0.92 PLAT (0.39)
SCHEMBL29785667 0.92 PLAT (0.39)
SCHEMBL24835002 0.92 PLAT (0.39)
SCHEMBL30172846 0.92 PLAT (0.39)
SCHEMBL23415008 0.92 PLAT (0.39)
SCHEMBL24834881 0.87 PDE10A (0.31)
SCHEMBL29785485 0.87 PDE10A (0.31)
SCHEMBL24834762 0.87 PDE10A (0.31)
SCHEMBL28786353 0.87 PDE10A (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4065230-A1 THERAPEUTIC COMPOUNDS Genentech, Inc. (US) 2022-10-05 EP disclosed
CN-114786778-A Therapeutic compounds 基因泰克公司 2022-07-22 CN disclosed