SCHEMBL22201286

SCHEMBL22201286

Clc1ccnc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.40
ADORA3 P0DMS8 2/20 0.38
EGFR P00533 2/20 0.38
IGF1R P08069 2/20 0.38
SRC P12931 2/20 0.38
KDR P35968 2/20 0.38
EPHB4 P54760 2/20 0.38
PRKD1 Q15139 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
AURKA O14965 1/20 0.38
INSR P06213 1/20 0.38
TEK Q02763 1/20 0.38
AURKB Q96GD4 1/20 0.38
SYK P43405 3/20 0.37
MAPT P10636 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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 0.89 SYK (0.45) P2RX3ADORA3PRKD1SYKTGFBR1
SCHEMBL22201224 0.89 P2RX3 (0.42) P2RX3ADORA3EGFRIGF1RSRC
SCHEMBL22201271 0.87 SYK (0.38) P2RX3EGFRPRKD1SYKTGFBR1
SCHEMBL22201417 0.87 P2RX3 (0.38) P2RX3ADORA3EGFRIGF1RSRC
SCHEMBL22201607 0.86 RIPK2 (0.39) KDRPRKD1SYKTGFBR1ALDH1A1
SCHEMBL22201586 0.86 PRKCH (0.47) AURKBSYKMAPTTGFBR1ALDH1A1
SCHEMBL22201488 0.85 ADORA3 (0.37) P2RX3ADORA3EGFRIGF1RSRC
SCHEMBL22201366 0.84 MAPT (0.39) EGFRSRCSYKMAPTALDH1A1
SCHEMBL22201273 0.84 SYK (0.37) P2RX3ADORA3PRKD1SYKMAPT
SCHEMBL22201226 0.84 PRKCH (0.37) P2RX3ADORA3PRKD1AURKBSYK

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