SCHEMBL28994182

SCHEMBL28994182

COc1ccc(F)cc1C(=O)NCc1ccc(-c2nc(C3=CCN(C(C)=O)CC3)c3ccnc(N)n23)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.45
BTK Q06187 11/20 0.44
CCNT1 O60563 4/20 0.44
CDK9 P50750 4/20 0.44
KIT P10721 1/20 0.39
MET P08581 1/20 0.38

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
SCHEMBL30289738 0.93 CCNT1 (0.46) EGFRBTKCCNT1CDK9
SCHEMBL30289735 0.93 BTK (0.45) EGFRBTKCCNT1CDK9
SCHEMBL30289593 0.92 BTK (0.44) EGFRBTKCCNT1CDK9
SCHEMBL30289638 0.92 BTK (0.44) EGFRBTKCCNT1CDK9
SCHEMBL30289630 0.89 EGFR (0.44) EGFRBTKCCNT1CDK9
SCHEMBL30289579 0.88 BTK (0.48) EGFRBTKMET
SCHEMBL28994189 0.86 BTK (0.46) EGFRBTKMET
SCHEMBL30289723 0.86 MAPK1 (0.49) EGFRBTKKITMET
SCHEMBL30289655 0.86 EGFR (0.47) EGFRBTKMET
SCHEMBL30289572 0.85 EGFR (0.54) EGFRBTKMET

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-115894497-A Imidazopyrimidine compounds, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-04-04 CN disclosed