SCHEMBL22201366

SCHEMBL22201366

c1cncc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
BCR P11274 1/20 0.39
SRC P12931 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
ABCG2 Q9UNQ0 13/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL22201226 0.93 PRKCH (0.37) CYP1A2SYK
SCHEMBL22201586 0.91 PRKCH (0.47) MAPTKDM4EHPGDABCG2ALDH1A1
SCHEMBL22201323 0.90 SYK (0.38) MAPTCYP1A2CYP3A4TSHRMAPK1
SCHEMBL22201417 0.89 P2RX3 (0.38) CYP1A2EGFRSRCSYK
SCHEMBL22201421 0.89 SYK (0.36) CYP1A2ABCG2ABCB1SYK
SCHEMBL22201534 0.87 PIK3CD (0.40) SYK
SCHEMBL22201327 0.87 SYK (0.40) ABCG2SYK
SCHEMBL22201368 0.87 SYK (0.45) CYP1A2ABCG2ALDH1A1ABCB1SYK
SCHEMBL22201489 0.86 SYK (0.37) MAPTCYP1A2CYP3A4TSHRMAPK1
SCHEMBL22201622 0.86 SYK (0.42) CYP2C19SYK

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