SCHEMBL21787822

SCHEMBL21787822

Cc1ncc(-c2n[nH]c3cc4[nH]c(=O)c(C5CCCN(Cc6ccccc6)C5)cc4cc23)cn1

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 12/20 0.85
HPGDS O60760 1/20 0.42
ITK Q08881 1/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
KCNH2 Q12809 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL18024672 0.92 MAPK1 (1.00) MAPK1HPGDSDRD2DRD4DRD3
SCHEMBL16630950 0.91 MAPK1 (0.83) MAPK1HPGDS
SCHEMBL19775553 0.91 MAPK1 (0.79) MAPK1HPGDSITKDRD2HTR2A
SCHEMBL16631073 0.90 MAPK1 (1.00) MAPK1ITKDRD2HTR2AHTR2C
SCHEMBL16631176 0.90 MAPK1 (0.86) MAPK1
SCHEMBL18024369 0.88 MAPK1 (1.00) MAPK1KCNH2
SCHEMBL16630989 0.86 MAPK1 (0.82) MAPK1
SCHEMBL16631018 0.79 MAPK1 (1.00) MAPK1
SCHEMBL18024487 0.77 MAPK1 (0.71) MAPK1
SCHEMBL21107733 0.75 MAPK1 (0.71) MAPK1

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-2020046966-A1 TREATMENT OF ADENOCARCINOMAS WITH MAPK PATHWAY INHIBITORS KURA ONCOLOGY, INC. (US) 2020-03-05 WO disclosed