SCHEMBL28939744

SCHEMBL28939744

Cn1cc(-c2ccnc(O)n2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.52
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
CDC7 O00311 1/20 0.49
FLT3 P36888 1/20 0.48
DYRK1A Q13627 3/20 0.48
HDAC1 Q13547 2/20 0.47
CCNT1 O60563 2/20 0.46
CDK9 P50750 2/20 0.46
IMPDH2 P12268 1/20 0.46
CDK5 Q00535 3/20 0.45
CDK5R1 Q15078 3/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL29800582 1.00 EGFR (0.52) EGFRMKNK1MKNK2CDC7FLT3
SCHEMBL5750318 0.85 CDC7 (0.60) EGFRMKNK1MKNK2CDC7DYRK1A
SCHEMBL29870510 0.85 CDC7 (0.60) EGFRMKNK1MKNK2CDC7DYRK1A
Hydrochloric Acid SCHEMBL5749287 0.84 CDC7 (0.59) EGFRMKNK1MKNK2CDC7DYRK1A
SCHEMBL28987594 0.82 CDK5 (0.51) EGFRMKNK1MKNK2CDC7FLT3
SCHEMBL29419125 0.82 MKNK1 (0.50) EGFRMKNK1MKNK2CDC7FLT3
SCHEMBL30337182 0.82 CDK5 (0.51) EGFRMKNK1MKNK2CDC7FLT3
SCHEMBL5096322 0.82 MKNK1 (0.50) EGFRMKNK1MKNK2CDC7FLT3
SCHEMBL30219257 0.81 DYRK1B (0.54) EGFRMKNK1MKNK2FLT3DYRK1A
SCHEMBL28927716 0.80 EGFR (0.53) EGFRMKNK1MKNK2FLT3DYRK1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113651800-B Preparation method of oxitinib mesylate 山东铂源药业股份有限公司 2022-08-19 CN disclosed
CN-113651800-A Preparation method of oxitinib mesylate 山东铂源药业有限公司 2021-11-16 CN disclosed