SCHEMBL29100882

SCHEMBL29100882

O=C1NCCc2[nH]c(C(O)O)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.49
CDC7 O00311 9/20 0.49
CDK9 P50750 3/20 0.49
CDK2 P24941 3/20 0.49
CLK4 Q9HAZ1 3/20 0.49
CDK1 P06493 3/20 0.49
MAPKAPK3 Q16644 3/20 0.49
MAPKAPK5 Q8IW41 3/20 0.49
PKN2 Q16513 2/20 0.49
ROCK2 O75116 2/20 0.49
GSK3B P49841 2/20 0.49
PLK1 P53350 2/20 0.49
HIPK2 Q9H2X6 2/20 0.49
IRAK4 Q9NWZ3 2/20 0.49
MKNK1 Q9BUB5 2/20 0.49
PLK4 O00444 2/20 0.49
MAPK13 O15264 2/20 0.49
DAPK3 O43293 2/20 0.49
DYRK3 O43781 2/20 0.49
RPS6KA4 O75676 2/20 0.49

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
SCHEMBL15690360 0.73 CDC7 (0.53) MAPKAPK2CDC7CDK9CDK2CLK4
SCHEMBL15230864 0.73 MAPK1 (0.59) MAPKAPK2CDC7CDK9CDK2CLK4
SCHEMBL15243650 0.73 CDC7 (0.53) MAPKAPK2CDC7CDK9CDK2CLK4
SCHEMBL15243965 0.73 CDC7 (0.53) MAPKAPK2CDC7CDK9CDK2CLK4
SCHEMBL6225030 0.70 CDC7 (0.50) MAPKAPK2CDC7CDK9CDK2CLK4
SCHEMBL14493821 0.69 CDC7 (0.49) MAPKAPK2CDC7CDK9CDK2CLK4
SCHEMBL6223604 0.67 CDC7 (0.43) MAPKAPK2CDC7CDK9CDK2CLK4
SCHEMBL4767679 0.66 MAPKAPK2 (1.00) MAPKAPK2CDC7CDK9CDK2CLK4
SCHEMBL6223274 0.65 CDC7 (0.42) MAPKAPK2CDC7CDK9CDK2CLK4
SCHEMBL31607736 0.65 PLK4 (0.49) MAPKAPK2CDC7CDK9CDK2CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116981667-A Heterocyclic inhibitors of EGFR and/or HER2 for cancer treatment 蝎子疗法股份有限公司 2023-10-31 CN disclosed
EP-4225445-A2 HETEROCYCLIC INHIBITORS OF EGFR AND/OR HER2, FOR USE IN THE TREATMENT OF CANCER Scorpion Therapeutics, Inc. (US) 2023-08-16 EP disclosed
WO-2022076831-A2 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed