SCHEMBL22201417

SCHEMBL22201417

Clc1cncc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.38
SYK P43405 6/20 0.37
ADORA3 P0DMS8 2/20 0.35
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35
CYP1A2 P05177 1/20 0.34
GRM4 Q14833 1/20 0.34
KDR P35968 3/20 0.34
EGFR P00533 2/20 0.34
IGF1R P08069 2/20 0.34
SRC P12931 2/20 0.34
EPHB4 P54760 2/20 0.34
TGFBR1 P36897 1/20 0.33
MET P08581 1/20 0.33
AURKA O14965 1/20 0.33
INSR P06213 1/20 0.33
TEK Q02763 1/20 0.33
AURKB Q96GD4 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
SCHEMBL22201323 0.90 SYK (0.38) P2RX3SYKPRKCHPRKCECYP1A2
SCHEMBL22201421 0.90 SYK (0.36) P2RX3SYKADORA3PRKCHPRKCE
SCHEMBL22201226 0.89 PRKCH (0.37) P2RX3SYKADORA3PRKCHPRKCE
SCHEMBL22201366 0.89 MAPT (0.39) SYKCYP1A2EGFRSRC
SCHEMBL22201327 0.87 SYK (0.40) SYKPRKCHPRKCEKDR
SCHEMBL22201586 0.87 PRKCH (0.47) SYKPRKCHPRKCETGFBR1AURKB
SCHEMBL22201224 0.87 P2RX3 (0.42) P2RX3SYKADORA3CYP1A2GRM4
SCHEMBL22201286 0.87 P2RX3 (0.40) P2RX3SYKADORA3KDREGFR
SCHEMBL22201534 0.86 PIK3CD (0.40) SYKKDRTGFBR1AURKB
SCHEMBL22201324 0.84 ADORA3 (0.39) P2RX3SYKADORA3PRKCHPRKCE

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