SCHEMBL4412355

SCHEMBL4412355

CC(C)(CN1CCC=C(c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)CC1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 8/20 0.35
HTR2C P28335 6/20 0.34
DRD2 P14416 3/20 0.33
KCNH2 Q12809 1/20 0.33
HTR2A P28223 3/20 0.32
HRH1 P35367 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32

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
SCHEMBL4405216 0.93 CCNT1 (0.38) KCNN4HTR2CDRD2HTR2AHRH1
SCHEMBL4403806 0.84 GRM1 (0.35) KCNN4HRH1CCNT1CDK9
SCHEMBL988571 0.84 GRM5 (0.43) KCNN4CDK9
SCHEMBL987273 0.83 KCNN4 (0.35) KCNN4KCNH2CHRNB4CHRNA3CCNT1
SCHEMBL4407741 0.83 KCNN4 (0.34) KCNN4HTR2CDRD2CCNT1CDK9
SCHEMBL985675 0.81 CCNT1 (0.37) KCNN4HRH1CCNT1CDK9
SCHEMBL988378 0.81 ERN1 (0.40) KCNN4HRH1CCNT1CDK9
SCHEMBL982752 0.80 GRM1 (0.39) KCNN4HRH1CCNT1CDK9
SCHEMBL2076538 0.80 GRM5 (0.51) CCNT1CDK9
SCHEMBL986695 0.79 NAMPT (0.41) KCNN4HRH1CCNT1CDK9

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
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP claimed