SCHEMBL22201404

SCHEMBL22201404

Clc1ccnc2cc(-c3ccncc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ROCK2 O75116 4/20 0.36
IKBKB O14920 1/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
SRC P12931 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CSF1R P07333 1/20 0.33
ERBB2 P04626 1/20 0.32
EPHA2 P29317 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL22201288 0.89 ABL1 (0.39) P2RX3MEN1KMT2AIKBKBABL1
SCHEMBL22201401 0.89 KDM4E (0.36) P2RX3KDM4EMEN1KMT2AROCK2
SCHEMBL22201402 0.89 MEN1 (0.36) P2RX3KDM4EMEN1KMT2AROCK2
SCHEMBL22201399 0.86 MEN1 (0.37) P2RX3KDM4EMEN1KMT2AROCK2
SCHEMBL22201565 0.86 KDM4E (0.35) P2RX3KDM4EMEN1KMT2AROCK2
SCHEMBL22201400 0.86 KMT2A (0.37) P2RX3KDM4EMEN1KMT2AROCK2
SCHEMBL22201293 0.86 SYK (0.44) P2RX3MEN1KMT2AROCK2SRC
SCHEMBL22201403 0.85 ROCK2 (0.35) P2RX3KDM4EMEN1KMT2AROCK2
SCHEMBL22201586 0.83 PRKCH (0.47) KDM4EMEN1KMT2AROCK2
SCHEMBL22201564 0.83 RIPK1 (0.36) 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