SCHEMBL25732008

SCHEMBL25732008

Cc1cccc(-c2cnn(C)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.49
METAP2 P50579 1/20 0.49
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
TEK Q02763 1/20 0.41
KMT2A Q03164 1/20 0.41
TLR8 Q9NR97 1/20 0.40
KDM1A O60341 1/20 0.40
KMO O15229 1/20 0.40
XDH P47989 1/20 0.40
GRM2 Q14416 1/20 0.39

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
SCHEMBL30212958 0.81 METAP2 (0.47) METAP2RAB9ANPC1KDM4EALDH1A1
SCHEMBL2658449 0.81 IDO1 (0.47) IDO1METAP2RAB9ANPC1KDM4E
SCHEMBL24028067 0.81 METAP2 (0.47) METAP2RAB9ANPC1KDM4EALDH1A1
SCHEMBL7918782 0.79 KMT2A (0.52) IDO1METAP2RAB9ANPC1KDM4E
SCHEMBL31402293 0.78 DYRK1A (0.44) ALDH1A1
SCHEMBL26251811 0.78 IDO1 (0.45) IDO1METAP2RAB9ANPC1KDM4E
Ammonia Solution, Strong SCHEMBL28862485 0.76 AOC3 (0.43) METAP2RAB9ANPC1KDM4EALDH1A1
SCHEMBL2629317 0.74 KMT2A (0.62) IDO1METAP2RAB9ANPC1KDM4E
SCHEMBL23685707 0.73 RAB9A (0.55) IDO1METAP2RAB9ANPC1KDM4E
SCHEMBL12264968 0.72 RAB9A (0.54) IDO1METAP2RAB9ANPC1KDM4E

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-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed