SCHEMBL22201224

SCHEMBL22201224

Clc1ccc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.42
ADORA3 P0DMS8 2/20 0.37
EGFR P00533 2/20 0.37
IGF1R P08069 2/20 0.37
SRC P12931 2/20 0.37
KDR P35968 2/20 0.37
EPHB4 P54760 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SYK P43405 3/20 0.36
TGFBR1 P36897 1/20 0.35
AURKA O14965 1/20 0.35
INSR P06213 1/20 0.35
TEK Q02763 1/20 0.35
AURKB Q96GD4 1/20 0.35
CYP1A2 P05177 1/20 0.34
GRM4 Q14833 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 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
SCHEMBL22201273 0.90 SYK (0.37) P2RX3ADORA3SYKTGFBR1CYP1A2
SCHEMBL22201281 0.89 SYK (0.36) P2RX3ADORA3EGFRSYKTGFBR1
SCHEMBL22201286 0.89 P2RX3 (0.40) P2RX3ADORA3EGFRIGF1RSRC
SCHEMBL22201368 0.88 SYK (0.45) P2RX3ADORA3SYKTGFBR1CYP1A2
SCHEMBL22201417 0.87 P2RX3 (0.38) P2RX3ADORA3EGFRIGF1RSRC
SCHEMBL22201272 0.87 ULK1 (0.36) P2RX3KDRSYKTGFBR1
SCHEMBL22201262 0.85 RIPK2 (0.36) P2RX3KDRTGFBR1LMNA
SCHEMBL22201488 0.85 ADORA3 (0.37) P2RX3ADORA3EGFRIGF1RSRC
SCHEMBL22201366 0.84 MAPT (0.39) EGFRSRCSYKCYP1A2LMNA
SCHEMBL22201586 0.84 PRKCH (0.47) SYKTGFBR1AURKBLMNAMAPT

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