SCHEMBL30173405

SCHEMBL30173405

Nc1cnn(C2CCC3(CC2)CN(CC(F)F)C3)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.34
KDM5A P29375 1/20 0.34
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
MET P08581 1/20 0.32
ALK Q9UM73 1/20 0.32
IRAK4 Q9NWZ3 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
SCHEMBL30173410 0.83 ACHE (0.35) ACHEKDM5A
SCHEMBL23622964 0.79 KDM5A (0.36) ACHEKDM5AMETALK
SCHEMBL30173403 0.78 KDM5A (0.35) ACHEKDM5AMETALKIRAK4
SCHEMBL30173406 0.78 FGFR1 (0.35) KDM5AFGFR1FGFR2FGFR3
SCHEMBL17076859 0.74 GSK3B (0.38) ACHEKDM5AMETALKIRAK4
SCHEMBL28918261 0.72 KDM5A (0.38) ACHEKDM5AFGFR1FGFR2FGFR3
SCHEMBL173506 0.72
SCHEMBL28214771 0.71 KDM5A (0.38) ACHEKDM5AMETALK
Hydrochloric Acid SCHEMBL31507950 0.70 PIK3CD (0.41) ACHEKDM5A
Hydrochloric Acid SCHEMBL25243994 0.70 PIK3CD (0.41) ACHEKDM5A

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-112771032-B Pyrimidine pyrazole compounds as fourth generation EGFR inhibitors 江苏先声药业有限公司 2023-01-03 CN disclosed