SCHEMBL22201599

SCHEMBL22201599

c1cc(-c2cc3cnccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCD Q05655 11/20 0.43
PRKCH P24723 10/20 0.43
PRKCE Q02156 10/20 0.43
PRKCQ Q04759 9/20 0.43
PRKCA P17252 9/20 0.43
PRKCB P05771 6/20 0.43
ROCK2 O75116 3/20 0.43
ROCK1 Q13464 2/20 0.43
PKN1 Q16512 2/20 0.43
PKN2 Q16513 2/20 0.43
PRKD1 Q15139 3/20 0.43
LATS1 O95835 5/20 0.43
LATS2 Q9NRM7 2/20 0.43
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX3 P56373 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
SCHEMBL22201586 0.84 PRKCH (0.47) PRKCHPRKCEROCK2KDM4EMEN1
SCHEMBL22201432 0.82 LATS1 (0.47) LATS1LATS2KDM4E
SCHEMBL22201404 0.79 P2RX3 (0.38) ROCK2KDM4EMEN1KMT2AP2RX3
SCHEMBL22201402 0.79 MEN1 (0.36) ROCK2KDM4EMEN1KMT2AP2RX3
SCHEMBL22201401 0.79 KDM4E (0.36) ROCK2KDM4EMEN1KMT2AP2RX3
SCHEMBL22201366 0.79 MAPT (0.39) CYP1A2KDM4EMEN1KMT2A
SCHEMBL22201559 0.78 HPGD (0.58) KDM4EMEN1KMT2A
SCHEMBL22201226 0.77 PRKCH (0.37) PRKCHPRKCEPRKD1CYP1A2P2RX3
SCHEMBL22201400 0.77 KMT2A (0.37) ROCK2KDM4EMEN1KMT2AP2RX3
SCHEMBL22201258 0.76 ABCG2 (0.48)

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