SCHEMBL2598353

SCHEMBL2598353

C[C@@H](Cn1ncc2ncc(F)c(Cl)c21)OC1CCCCO1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.31
P2RX3 P56373 1/20 0.30
HTR2C P28335 3/20 0.30
SLC6A4 P31645 3/20 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
SCHEMBL2598449 0.81 L3MBTL1 (0.40) L3MBTL1P2RX3
SCHEMBL2596820 0.79 L3MBTL1 (0.30) L3MBTL1P2RX3
SCHEMBL2598407 0.74
SCHEMBL8122607 0.68 L3MBTL1 (0.33) L3MBTL1
SCHEMBL2598395 0.67 TGFBR1 (0.37)
SCHEMBL8122602 0.66 KDM4C (0.38) L3MBTL1P2RX3
SCHEMBL15465385 0.65 MAPK1 (0.33)
SCHEMBL24805854 0.64 L3MBTL1 (0.33) L3MBTL1
SCHEMBL25225104 0.63 CCR4 (0.34)
SCHEMBL10433895 0.63 KMT2A (0.32) P2RX3

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