SCHEMBL22201564

SCHEMBL22201564

CC(C)S(=O)(=O)c1ccnc2cc(-c3ccncc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.36
SYK P43405 4/20 0.36
P2RX3 P56373 6/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RIPK2 O43353 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
ROCK2 O75116 2/20 0.32
IKBKB O14920 2/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL22201526 0.91 ABL1 (0.35) RIPK1SYKP2RX3RIPK2RIPK3
SCHEMBL22201519 0.88 SYK (0.40) RIPK1SYKP2RX3KMT2ARIPK2
SCHEMBL22201563 0.86 P2RX3 (0.38) SYKP2RX3KDM4EMEN1KMT2A
SCHEMBL22201402 0.83 MEN1 (0.36) SYKP2RX3KDM4EMEN1KMT2A
SCHEMBL22201404 0.83 P2RX3 (0.38) P2RX3KDM4EMEN1KMT2AROCK2
SCHEMBL22201401 0.83 KDM4E (0.36) SYKP2RX3KDM4EMEN1KMT2A
SCHEMBL22201400 0.82 KMT2A (0.37) SYKP2RX3KDM4EMEN1KMT2A
SCHEMBL22201399 0.82 MEN1 (0.37) SYKP2RX3KDM4EMEN1KMT2A
SCHEMBL22201565 0.82 KDM4E (0.35) P2RX3KDM4EMEN1KMT2AROCK2
SCHEMBL22201403 0.79 ROCK2 (0.35) P2RX3KDM4EMEN1KMT2AROCK2

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-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed