SCHEMBL28626645

SCHEMBL28626645

Cn1cc(-c2ccnc(Nc3cc([N+](=O)[O-])c(F)cc3F)n2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.59
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
FLT3 P36888 2/20 0.48
JAK2 O60674 1/20 0.48
ROS1 P08922 1/20 0.48
PDGFRA P16234 1/20 0.48
FLT4 P35916 1/20 0.48
HDAC1 Q13547 1/20 0.47

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
SCHEMBL28381883 0.93 EGFR (0.57) EGFRMKNK1MKNK2FLT3JAK2
SCHEMBL28839312 0.92 EGFR (0.55) EGFRMKNK1MKNK2FLT3JAK2
SCHEMBL28840165 0.92 EGFR (0.55) EGFRMKNK1MKNK2FLT3JAK2
SCHEMBL32671769 0.90 MKNK1 (0.65) EGFRMKNK1MKNK2FLT3JAK2
SCHEMBL29555980 0.90 MKNK1 (0.65) EGFRMKNK1MKNK2FLT3JAK2
SCHEMBL14660648 0.90 MKNK1 (0.65) EGFRMKNK1MKNK2FLT3JAK2
Hydrochloric Acid SCHEMBL31218386 0.90 MKNK1 (0.64) EGFRMKNK1MKNK2FLT3JAK2
SCHEMBL17683312 0.89 EGFR (0.55) EGFRMKNK1MKNK2FLT3JAK2
SCHEMBL28382476 0.89 EGFR (0.56) EGFRMKNK1MKNK2FLT3JAK2
SCHEMBL30459800 0.89 EGFR (0.55) EGFRMKNK1MKNK2FLT3JAK2

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-107793413-B Pyrimidine heterocyclic compound and preparation method and application thereof 上海科州药物研发有限公司 2021-09-28 CN disclosed