SCHEMBL22201586

SCHEMBL22201586

c1cnc2cc(-c3ccncc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCH P24723 1/20 0.47
PRKCE Q02156 1/20 0.47
ROCK2 O75116 1/20 0.39
SYK P43405 10/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
KCNH2 Q12809 1/20 0.37
AURKB Q96GD4 1/20 0.37
TGFBR1 P36897 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
PDE5A O76074 1/20 0.35

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 0.91 PRKCH (0.37) PRKCHPRKCESYKKCNH2AURKB
SCHEMBL22201366 0.91 MAPT (0.39) SYKKDM4EMEN1KMT2AHPGD
SCHEMBL22201368 0.88 SYK (0.45) SYKMEN1KMT2ATGFBR1ALDH1A1
SCHEMBL22201323 0.88 SYK (0.38) PRKCHPRKCESYKKDM4EMEN1
SCHEMBL22201417 0.87 P2RX3 (0.38) PRKCHPRKCESYKAURKBTGFBR1
SCHEMBL22201421 0.87 SYK (0.36) PRKCHPRKCESYKKCNH2AURKB
SCHEMBL22201537 0.86 KDM4E (0.42) ROCK2KDM4EMEN1KMT2AHPGD
SCHEMBL22201489 0.86 SYK (0.37) PRKCHPRKCESYKKDM4EMEN1
SCHEMBL22201286 0.86 P2RX3 (0.40) SYKMAPTAURKBTGFBR1ALDH1A1
SCHEMBL22201488 0.86 ADORA3 (0.37) PRKCHPRKCESYKKDM4EMEN1

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