SCHEMBL22201402

SCHEMBL22201402

Brc1ccnc2cc(-c3ccncc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ROCK2 O75116 3/20 0.36
P2RX3 P56373 6/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
SRC P12931 1/20 0.34
MKNK1 Q9BUB5 2/20 0.33
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX12 P18054 1/20 0.31
FGFR2 P21802 1/20 0.31
FLT3 P36888 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31

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
SCHEMBL22201287 0.89 ABL1 (0.39) MEN1KMT2AP2RX3ABL1BCR
SCHEMBL22201401 0.89 KDM4E (0.36) MEN1KMT2AKDM4EROCK2P2RX3
SCHEMBL22201404 0.89 P2RX3 (0.38) MEN1KMT2AKDM4EROCK2P2RX3
SCHEMBL22201565 0.86 KDM4E (0.35) MEN1KMT2AKDM4EROCK2P2RX3
SCHEMBL22201400 0.86 KMT2A (0.37) MEN1KMT2AKDM4EROCK2P2RX3
SCHEMBL22201399 0.86 MEN1 (0.37) MEN1KMT2AKDM4EROCK2P2RX3
SCHEMBL22201302 0.86 SYK (0.44) MEN1KMT2AROCK2P2RX3MKNK1
SCHEMBL22201403 0.85 ROCK2 (0.35) MEN1KMT2AKDM4EROCK2P2RX3
SCHEMBL22201586 0.83 PRKCH (0.47) MEN1KMT2AKDM4EROCK2ALDH1A1
SCHEMBL22201564 0.83 RIPK1 (0.36) MEN1KMT2AKDM4EROCK2P2RX3

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