SCHEMBL28459136

SCHEMBL28459136

[CH2]CN(C)c1nc(OC)c([N+](=O)[O-])cc1NC(=O)C=C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.37
UCHL3 P15374 1/20 0.37
RORC P51449 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP2C19 P33261 1/20 0.34
TGM2 P21980 1/20 0.34
EGFR P00533 4/20 0.34
BTK Q06187 1/20 0.34
FGFR4 P22455 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL19100747 0.90 EGFR (0.41) EGFR
SCHEMBL30467879 0.90 EGFR (0.41) EGFR
SCHEMBL28457474 0.82 UCHL3 (0.39) UCHL3TGM2EGFRBTKFGFR4
SCHEMBL19100648 0.79 EGFR (0.38) EGFRBTK
SCHEMBL19100693 0.77 EGFR (0.38) EGFR
SCHEMBL17339175 0.76 ALDH1A1 (0.34) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL17339171 0.76 L3MBTL1 (0.33) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL19100682 0.72 EGFR (0.43) EGFR
SCHEMBL28572522 0.70 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL19958220 0.70 EGFR (0.54) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111892579-B Kinase inhibitors 上海艾力斯医药科技股份有限公司 2023-07-25 CN disclosed
CN-111875585-B Kinase inhibitors 上海艾力斯医药科技股份有限公司 2023-06-23 CN disclosed
CN-111892579-A Kinase inhibitor 上海复尚慧创医药研究有限公司 2020-11-06 CN disclosed
CN-111875585-A Kinase inhibitor 上海复尚慧创医药研究有限公司 2020-11-03 CN disclosed
CN-106660993-B Kinase inhibitor 上海复尚慧创医药研究有限公司 2020-09-11 CN disclosed