SCHEMBL22201537

SCHEMBL22201537

c1cnc2cc(Nc3ccncc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TGFBR1 P36897 2/20 0.35
MAPK14 Q16539 1/20 0.35
P2RX3 P56373 4/20 0.35
CYP1A2 P05177 2/20 0.35
GRM4 Q14833 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
ROCK2 O75116 1/20 0.35
PIP4K2A P48426 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
PDE10A Q9Y233 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL22201239 0.91 PDE5A (0.39) KMT2ATGFBR1P2RX3CYP1A2GRM4
SCHEMBL22201236 0.87 KDM4E (0.36) KDM4EKMT2AMEN1TGFBR1P2RX3
SCHEMBL22201586 0.86 PRKCH (0.47) KDM4EKMT2AMEN1TGFBR1ROCK2
SCHEMBL22201365 0.86 ADORA3 (0.38) KDM4EKMT2AMEN1TGFBR1P2RX3
SCHEMBL22201415 0.86 PIP4K2A (0.37) KDM4EKMT2AMEN1TGFBR1P2RX3
SCHEMBL22201416 0.85 MEN1 (0.44) KMT2AMEN1PDE10A
SCHEMBL22201368 0.82 SYK (0.45) KMT2AMEN1TGFBR1P2RX3CYP1A2
SCHEMBL22201366 0.81 MAPT (0.39) KDM4EKMT2AMEN1CYP1A2HPGD
SCHEMBL22201226 0.81 PRKCH (0.37) TGFBR1P2RX3CYP1A2GRM4ADORA3
SCHEMBL22201489 0.81 SYK (0.37) KDM4EKMT2AMEN1TGFBR1P2RX3

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