SCHEMBL30786187

SCHEMBL30786187

C=Cc1nn(C(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
BCHE P06276 1/20 0.37
ELANE P08246 8/20 0.36
F2 P00734 4/20 0.36
PLAU P00749 4/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PIM1 P11309 1/20 0.35
MARK3 P27448 1/20 0.35
MAP4K2 Q12851 1/20 0.35
CAMK2B Q13554 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL15902469 0.88 MAP2K4 (0.43) MAP2K4ALDH1A1HPGDCHRM2CHRM4
SCHEMBL29443983 0.88 MAP2K4 (0.43) MAP2K4ALDH1A1HPGDCHRM2CHRM4
SCHEMBL18098022 0.83 MAP2K4 (0.40) MAP2K4ALDH1A1HPGDCHRM2CHRM4
SCHEMBL28157040 0.82 MAP2K4 (0.44) MAP2K4ALDH1A1HPGDCHRM2CHRM4
SCHEMBL16791413 0.81 MAP2K4 (0.39) MAP2K4ALDH1A1HPGDCHRM2CHRM4
SCHEMBL8216089 0.80 ELANE (0.52) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL4312062 0.79 MAP2K4 (0.38) MAP2K4ALDH1A1HPGDCHRM2CHRM4
SCHEMBL4312058 0.79 MAP2K4 (0.38) MAP2K4ALDH1A1HPGDCHRM2CHRM4
SCHEMBL155708 0.79 MAP2K4 (0.44) MAP2K4ALDH1A1CHRM2CHRM4CHRM1
SCHEMBL2674135 0.79 MAP2K4 (0.44) MAP2K4ALDH1A1CHRM2CHRM4CHRM1

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
WO-2024032584-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-02-15 WO disclosed