SCHEMBL4044922

SCHEMBL4044922

N#Cc1c(C(=O)O)c2n(c1C1CC1)CCNC2

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL13964438 0.88 CSNK1E (0.38) CSNK1EHTR2AHTR2C
Trifluoroacetic Acid SCHEMBL4042584 0.77 CSNK1E (0.33) CSNK1E
SCHEMBL6631468 0.76 CSNK1E (0.41) CSNK1E
SCHEMBL13964221 0.70 HTR2A (0.36) CSNK1EHTR2AHTR2C
SCHEMBL4044886 0.69 CSNK1E (0.36) CSNK1E
SCHEMBL14849195 0.58 HTR2A (0.40) CSNK1EHTR2AHTR2C
SCHEMBL26136595 0.57 CYP1A2 (0.35)
SCHEMBL29229158 0.57 CYP1A2 (0.35)
SCHEMBL11426187 0.57 CYP1A2 (0.35)
Oxalic Acid SCHEMBL19877271 0.56 P2RX7 (0.34)

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-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed