SCHEMBL31597971

SCHEMBL31597971

O=C1NCCOc2cc(F)c(Br)cc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 1/20 0.59
MAP3K5 Q99683 3/20 0.43
GSK3B P49841 1/20 0.40
PKM P14618 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NTRK1 P04629 8/20 0.36
JAK2 O60674 4/20 0.36
ROS1 P08922 3/20 0.36
ALK Q9UM73 3/20 0.36
JAK1 P23458 2/20 0.36
JAK3 P52333 2/20 0.36
PARP10 Q53GL7 2/20 0.34
PARP11 Q9NR21 2/20 0.34

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
SCHEMBL4125499 0.77 ALDH1A1 (0.46) FABP6PKMKDM4E
SCHEMBL31457717 0.76 FABP6 (0.49) FABP6MAP3K5KDM4E
Hydrochloric Acid SCHEMBL29221775 0.76 ALDH1A1 (0.45) FABP6PKMKDM4E
SCHEMBL16136560 0.76 MAOB (0.47) MAP3K5PKM
SCHEMBL31597716 0.74 FABP6 (0.67) FABP6MAP3K5GSK3BPARP10PARP11
SCHEMBL2983127 0.74 FABP6 (0.67) FABP6MAP3K5GSK3BPARP10PARP11
SCHEMBL29783371 0.74 FABP6 (1.00) FABP6MAP3K5NTRK1JAK2ROS1
SCHEMBL12078170 0.74 PARP10 (0.54) FABP6MAP3K5GSK3BKDM4EPARP10
SCHEMBL1887176 0.74 FABP6 (0.77) FABP6GSK3BNTRK1JAK2ROS1
SCHEMBL886670 0.74 FABP6 (1.00) FABP6MAP3K5NTRK1JAK2ROS1

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
CN-120077042-A 3A,4,5, 6-tetrahydro-1H-pyrazolo [3,4-C ] pyridin-7 (7 AH) -one derivatives as factor XIIa inhibitors 卡尔维斯塔制药有限公司 2025-05-30 CN disclosed