SCHEMBL29720370

SCHEMBL29720370

O=C(c1cccc(Cl)c1F)N1CCN(Cc2cccc(Nc3nccs3)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 18/20 0.58
AURKB Q96GD4 16/20 0.50
INCENP Q9NQS7 12/20 0.50
PLK4 O00444 1/20 0.50
JAK2 O60674 1/20 0.50
STK10 O94804 1/20 0.50
ABL1 P00519 1/20 0.50
RET P07949 1/20 0.50
BCR P11274 1/20 0.50
FER P16591 1/20 0.50
EPHA2 P29317 1/20 0.50
ACVR1B P36896 1/20 0.50
TGFBR1 P36897 1/20 0.50
TEC P42680 1/20 0.50
ABL2 P42684 1/20 0.50
FRK P42685 1/20 0.50
MAPK8 P45983 1/20 0.50
IRAK1 P51617 1/20 0.50
LIMK1 P53667 1/20 0.50
MAPK10 P53779 1/20 0.50

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
SCHEMBL1704218 1.00 AURKA (0.58) AURKAAURKBINCENPPLK4JAK2
SCHEMBL29443431 1.00 AURKA (0.58) AURKAAURKBINCENPPLK4JAK2
Hydrochloric Acid SCHEMBL3529855 0.99 AURKA (0.57) AURKAAURKBINCENPPLK4JAK2
SCHEMBL3533321 0.97 AURKA (0.55) AURKAAURKBINCENPPLK4JAK2
SCHEMBL3531985 0.91 AURKA (0.69) AURKAAURKBINCENPPLK4JAK2
SCHEMBL3476153 0.91 AURKA (0.56) AURKAAURKBINCENPPLK4JAK2
SCHEMBL3535915 0.91 AURKA (0.55) AURKAAURKBINCENPPLK4JAK2
Hydrochloric Acid SCHEMBL3535629 0.90 AURKA (0.55) AURKAAURKBINCENPPLK4JAK2
SCHEMBL3529888 0.90 AURKA (0.58) AURKAAURKBINCENPPLK4JAK2
SCHEMBL3535741 0.90 AURKA (0.54) AURKAAURKBINCENPPLK4JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4084831-A1 PROTEOLYSIS TARGETING CHIMERA (PROTAC) FOR DEGRADATION OF AURORA A-KINASE Julius-Maximilians-Universität Würzburg (DE) 2022-11-09 EP claimed
EP-4277706-A1 INDUCERS OF SENESCENCE, IN COMBINATION WITH A SELECTIVE DEATH RECEPTOR 5 (DR5) AGONIST, FOR USE IN A METHOD OF TREATING CANCER Stichting Het Nederlands Kanker Instituut- Antoni van Leeuwenhoek Ziekenhuis (NL) 2023-11-22 EP disclosed
EP-4084831-A1 PROTEOLYSIS TARGETING CHIMERA (PROTAC) FOR DEGRADATION OF AURORA A-KINASE Julius-Maximilians-Universität Würzburg (DE) 2022-11-09 EP disclosed
WO-2022154664-A1 INDUCERS OF SENESCENCE, IN COMBINATION WITH A SELECTIVE DEATH RECEPTOR 5 (DR5) AGONIST, FOR USE IN A METHOD OF TREATING CANCER Stichting Het Nederlands Kanker Instituut-Antoni van Leeuwenhoek Ziekenhuis (NL) 2022-07-21 WO disclosed