SCHEMBL22201225

SCHEMBL22201225

c1cnc2c(-c3cc4ncccc4c(Nc4ccc5nc(C6CC6)sc5c4)n3)cccc2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GRM4 Q14833 4/20 0.37
CYP1A2 P05177 2/20 0.37
ADORA3 P0DMS8 2/20 0.35
MKNK1 Q9BUB5 2/20 0.35
SYK P43405 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX12 P18054 1/20 0.34
P2RX3 P56373 2/20 0.34
PDE10A Q9Y233 1/20 0.34
PIP4K2A P48426 2/20 0.33
PIP4K2C Q8TBX8 2/20 0.33
PRKD1 Q15139 1/20 0.33

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
SCHEMBL22201368 0.86 SYK (0.45) TGFBR1GRM4CYP1A2ADORA3SYK
SCHEMBL22201536 0.86 ACP1 (0.36) TGFBR1GRM4CYP1A2ADORA3SYK
SCHEMBL22201586 0.84 PRKCH (0.47) TGFBR1SYKALDH1A1
SCHEMBL22201489 0.84 SYK (0.37) TGFBR1GRM4CYP1A2ADORA3SYK
SCHEMBL22201286 0.83 P2RX3 (0.40) TGFBR1ADORA3SYKALDH1A1ALOX12
SCHEMBL22201324 0.83 ADORA3 (0.39) TGFBR1GRM4CYP1A2ADORA3SYK
SCHEMBL22201494 0.83 JAK2 (0.36) TGFBR1GRM4CYP1A2SYKP2RX3
SCHEMBL22201366 0.83 MAPT (0.39) CYP1A2SYKALDH1A1
SCHEMBL22201226 0.83 PRKCH (0.37) TGFBR1GRM4CYP1A2ADORA3SYK
SCHEMBL22201223 0.83 GRM4 (0.38) TGFBR1GRM4CYP1A2ADORA3MKNK1

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