SCHEMBL28596096

SCHEMBL28596096

CN1CCC(n2cc3c(Br)cccc3n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.36
KDM5A P29375 1/20 0.36
AXL P30530 1/20 0.36
TLR8 Q9NR97 1/20 0.34
HRH4 Q9H3N8 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EGFR P00533 1/20 0.33
LRRK2 Q5S007 1/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL29303422 0.78 HDAC8 (0.34) HDAC8
SCHEMBL28591652 0.77 GPR119 (0.44) IRAK4
SCHEMBL25912147 0.71 TLR8 (0.41) IRAK4AXLTLR8HRH4GAA
SCHEMBL25911938 0.71 TLR8 (0.44) IRAK4AXLTLR8HRH4GAA
SCHEMBL31713084 0.71 ADORA3 (0.36) LRRK2
SCHEMBL544118 0.71 BACE1 (0.40) AXLHDAC8
SCHEMBL28597609 0.69 ALOX15 (0.46) KDM5AGAASMN1; SMN2
SCHEMBL15344954 0.68 IRAK4 (0.44) IRAK4AXLTLR8GAASMN1; SMN2
SCHEMBL31544121 0.68 DRD2 (0.43) HRH4
SCHEMBL26654971 0.68 IRAK4 (0.51) IRAK4TLR8

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-113166139-A Pyrrolo [2,3-b ] pyridines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-07-23 CN disclosed