SCHEMBL22201236

SCHEMBL22201236

Cc1ccncc1Nc1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TYK2 P29597 7/20 0.35
JAK3 P52333 7/20 0.35
JAK2 O60674 4/20 0.35
JAK1 P23458 3/20 0.35
TGFBR1 P36897 1/20 0.35
P2RX3 P56373 4/20 0.34
ALOX12 P18054 3/20 0.33
PRKD1 Q15139 1/20 0.33
PARP14 Q460N5 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SYK P43405 1/20 0.33
ABL1 P00519 1/20 0.33
KIT P10721 1/20 0.33
PDGFRA P16234 1/20 0.33

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
SCHEMBL22201415 0.88 PIP4K2A (0.37) KDM4EMEN1KMT2ATYK2JAK3
SCHEMBL22201239 0.87 PDE5A (0.39) KMT2ATYK2JAK3JAK2JAK1
SCHEMBL22201537 0.87 KDM4E (0.42) KDM4EMEN1KMT2ATGFBR1P2RX3
SCHEMBL22201531 0.85 ABL1 (0.38) KDM4EMEN1KMT2ATGFBR1ALOX12
SCHEMBL22201365 0.83 ADORA3 (0.38) KDM4EMEN1KMT2ATYK2JAK3
SCHEMBL22201416 0.81 MEN1 (0.44) MEN1KMT2A
SCHEMBL22201366 0.80 MAPT (0.39) KDM4EMEN1KMT2AALDH1A1SYK
SCHEMBL22201586 0.79 PRKCH (0.47) KDM4EMEN1KMT2ATGFBR1ALDH1A1
SCHEMBL22201489 0.79 SYK (0.37) KDM4EMEN1KMT2ATGFBR1P2RX3
SCHEMBL22201226 0.78 PRKCH (0.37) TGFBR1P2RX3PRKD1SYK

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