SCHEMBL22201607

SCHEMBL22201607

CS(=O)(=O)c1ccnc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.39
KDR P35968 1/20 0.39
PRKD1 Q15139 1/20 0.37
ALDH1A1 P00352 3/20 0.36
ALOX12 P18054 3/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
STAT3 P40763 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TGFBR1 P36897 2/20 0.35
PIP4K2A P48426 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
SYK P43405 1/20 0.34

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
SCHEMBL22201262 0.89 RIPK2 (0.36) RIPK2KDRALDH1A1LMNASMN1; SMN2
SCHEMBL22201534 0.87 PIK3CD (0.40) RIPK2KDRTGFBR1PIP4K2APIP4K2C
SCHEMBL22201493 0.87 ROCK2 (0.34) PRKD1TGFBR1SYK
SCHEMBL22201425 0.86 P2RX3 (0.36) PRKD1ALDH1A1ALOX12TGFBR1
SCHEMBL22201286 0.86 P2RX3 (0.40) KDRPRKD1ALDH1A1ALOX12TP53
SCHEMBL22201368 0.85 SYK (0.45) PRKD1ALDH1A1ALOX12TGFBR1SYK
SCHEMBL22201322 0.84 PIP4K2C (0.34) TGFBR1PIP4K2APIP4K2C
SCHEMBL22201271 0.83 SYK (0.38) PRKD1ALDH1A1TSHRTGFBR1SYK
SCHEMBL22201366 0.81 MAPT (0.39) ALDH1A1LMNATSHRSYK
SCHEMBL22201586 0.81 PRKCH (0.47) ALDH1A1LMNASMN1; SMN2TGFBR1SYK

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