SCHEMBL22201223

SCHEMBL22201223

c1cnc2cc(-c3cc[nH]n3)nc(Nc3ccc4nc(C5CC5)sc4c3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.38
CYP1A2 P05177 2/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TGFBR1 P36897 1/20 0.35
P2RX3 P56373 4/20 0.34
ADORA3 P0DMS8 2/20 0.34
PRKD1 Q15139 1/20 0.34
SYK P43405 2/20 0.33
MKNK1 Q9BUB5 2/20 0.33
LMNA P02545 1/20 0.33
PDE10A Q9Y233 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX12 P18054 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 0.87 SYK (0.45) GRM4CYP1A2MEN1KMT2ATGFBR1
SCHEMBL22201690 0.85 CYP1A2 (0.31) GRM4CYP1A2TGFBR1
SCHEMBL22201586 0.85 PRKCH (0.47) MEN1KMT2ATGFBR1SYKLMNA
SCHEMBL22201286 0.84 P2RX3 (0.40) TGFBR1P2RX3ADORA3PRKD1SYK
SCHEMBL22201226 0.83 PRKCH (0.37) GRM4CYP1A2TGFBR1P2RX3ADORA3
SCHEMBL22201273 0.83 SYK (0.37) GRM4CYP1A2MEN1KMT2ATGFBR1
SCHEMBL22201366 0.83 MAPT (0.39) CYP1A2MEN1KMT2ASYKLMNA
SCHEMBL22201281 0.83 SYK (0.36) GRM4CYP1A2MEN1KMT2ATGFBR1
SCHEMBL22201225 0.83 TGFBR1 (0.38) GRM4CYP1A2TGFBR1P2RX3ADORA3
SCHEMBL22201224 0.83 P2RX3 (0.42) GRM4CYP1A2MEN1KMT2ATGFBR1

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