SCHEMBL22201400

SCHEMBL22201400

CN(C)c1ccnc2cc(-c3ccncc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ROCK2 O75116 3/20 0.34
P2RX3 P56373 6/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
SRC P12931 1/20 0.33
IKBKB O14920 1/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
KCNH2 Q12809 1/20 0.32
SYK P43405 3/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL22201267 0.90 ABL1 (0.38) P2RX3ABL1BCRSRCNPC1
SCHEMBL22201304 0.88 SYK (0.43) KMT2AMEN1ROCK2P2RX3NPC1
SCHEMBL22201401 0.86 KDM4E (0.36) KMT2AMEN1KDM4EROCK2P2RX3
SCHEMBL22201402 0.86 MEN1 (0.36) KMT2AMEN1KDM4EROCK2P2RX3
SCHEMBL22201404 0.86 P2RX3 (0.38) KMT2AMEN1KDM4EROCK2P2RX3
SCHEMBL22201399 0.86 MEN1 (0.37) KMT2AMEN1KDM4EROCK2P2RX3
SCHEMBL22201565 0.84 KDM4E (0.35) KMT2AMEN1KDM4EROCK2P2RX3
SCHEMBL22201403 0.83 ROCK2 (0.35) KMT2AMEN1KDM4EROCK2P2RX3
SCHEMBL22201564 0.82 RIPK1 (0.36) KMT2AMEN1KDM4EROCK2P2RX3
SCHEMBL22201586 0.81 PRKCH (0.47) KMT2AMEN1KDM4EROCK2KCNH2

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