SCHEMBL31079795

SCHEMBL31079795

Cc1ccc(Oc2nc(Br)cc3ncn(C4CC4)c23)cc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 15/20 0.45
ABL1 P00519 2/20 0.32
JAK1 P23458 1/20 0.32
BTK Q06187 1/20 0.32
AURKA O14965 1/20 0.32
MET P08581 1/20 0.32
KDR P35968 1/20 0.32
TEK Q02763 1/20 0.32
AURKB Q96GD4 1/20 0.32

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
SCHEMBL23243099 1.00 MAP4K1 (0.45) MAP4K1ABL1JAK1BTKAURKA
SCHEMBL23243506 0.91 MAP4K1 (0.46) MAP4K1ABL1JAK1
SCHEMBL31079881 0.91 MAP4K1 (0.46) MAP4K1ABL1JAK1
SCHEMBL31079768 0.90 MAP4K1 (0.46) MAP4K1ABL1JAK1KDR
SCHEMBL23243241 0.90 MAP4K1 (0.46) MAP4K1ABL1JAK1KDR
SCHEMBL31079766 0.90 MAP4K1 (0.46) MAP4K1ABL1JAK1KDR
SCHEMBL23243431 0.89 MAP4K1 (0.56) MAP4K1
SCHEMBL31079942 0.89 MAP4K1 (0.56) MAP4K1
SCHEMBL23243514 0.81 MAP4K1 (0.55) MAP4K1
SCHEMBL31079729 0.81 MAP4K1 (0.55) MAP4K1

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-113227089-B Substituted 6-azabenzimidazole compounds as HPK1 inhibitors 吉利德科学公司 2024-07-05 CN disclosed