SCHEMBL19909679

SCHEMBL19909679

CN(C)C/C=C/C(=O)N1CCN(I)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.37
BTK Q06187 3/20 0.36
EGFR P00533 2/20 0.35
CDK14 O94921 1/20 0.35
CCNY Q8ND76 1/20 0.35
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34

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
SCHEMBL16078787 0.84 POLB (0.45)
SCHEMBL18285080 0.84 JAK3 (0.38) JAK3BTKEGFRCDK14CCNY
SCHEMBL18285079 0.84 JAK3 (0.38) JAK3BTKEGFRCDK14CCNY
SCHEMBL24244462 0.84 MAPT (0.41) JAK3EGFRCDK14CCNY
SCHEMBL30072903 0.84 JAK3 (0.41) JAK3EGFR
SCHEMBL18455437 0.84 JAK3 (0.41) JAK3EGFR
SCHEMBL30046361 0.82 JAK3 (0.41) JAK3EGFR
SCHEMBL17150911 0.82 JAK3 (0.41) JAK3EGFR
SCHEMBL19190232 0.82 JAK3 (0.41) JAK3EGFR
SCHEMBL24337533 0.81 GPR183 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3842433-B1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR MEDSHINE DISCOVERY INC (CN) 2023-11-01 EP disclosed
EP-3741756-B1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR MEDSHINE DISCOVERY INC (CN) 2023-11-01 EP disclosed
EP-3842433-A1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR Medshine Discovery Inc. (CN) 2021-06-30 EP disclosed
WO-2021023247-A1 KRAS MUTANT PROTEIN INHIBITOR JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-02-11 WO disclosed
EP-3741756-A1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR Medshine Discovery Inc. (CN) 2020-11-25 EP disclosed
WO-2019141250-A1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR 南京明德新药研发股份有限公司 2019-07-25 WO disclosed
EP-2970163-B1 5-THIAZOLECARBOXAMIDE DERVATIVES AND THEIR USE AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-02-28 EP disclosed