SCHEMBL2598449

SCHEMBL2598449

Fc1cnc2cnn(CCOC3CCCCO3)c2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
KDM4C Q9H3R0 1/20 0.38
MET P08581 2/20 0.37
P2RX3 P56373 11/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL2598353 0.81 L3MBTL1 (0.31) L3MBTL1P2RX3
SCHEMBL2596877 0.78 L3MBTL1 (0.39) L3MBTL1KDM4CMETP2RX3NPC1
SCHEMBL2598454 0.77 MET (0.43) L3MBTL1KDM4CMETP2RX3NPC1
SCHEMBL2598436 0.72 MEN1 (0.40) L3MBTL1KDM4CMETP2RX3NPC1
SCHEMBL26916099 0.70 L3MBTL1 (0.39) L3MBTL1KDM4CP2RX3NPC1RAB9A
SCHEMBL15007862 0.70 L3MBTL1 (0.56) L3MBTL1KDM4CMETP2RX3NPC1
SCHEMBL24103542 0.67 MEN1 (0.49) L3MBTL1KDM4CMETP2RX3NPC1
SCHEMBL22638187 0.66 KDM4C (0.47) L3MBTL1KDM4CP2RX3NPC1RAB9A
SCHEMBL8122602 0.66 KDM4C (0.38) L3MBTL1KDM4CP2RX3NPC1RAB9A
SCHEMBL30420567 0.66 MEN1 (0.43) L3MBTL1KDM4CMETP2RX3NPC1

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-2011146287-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-24 WO disclosed