SCHEMBL22609136

SCHEMBL22609136

CCNC(=O)Nc1cnc2ccnn2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.48
KDR P35968 2/20 0.45
FGFR3 P22607 1/20 0.45
KIT P10721 2/20 0.43
DDR1 Q08345 2/20 0.43
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
CDK8 P49336 1/20 0.40

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
SCHEMBL25239960 0.80 KIT (0.46) BRAFKITDDR1
SCHEMBL25124396 0.78 BRAF (0.42) BRAFKITDDR1KDM4E
SCHEMBL25392090 0.75 NAMPT (0.45) BRAFKITDDR1
SCHEMBL8368743 0.72 ALDH1A1 (0.59) KDRPIK3CA
SCHEMBL12846720 0.69 CDK2 (0.69) PIK3CAKDM4EMAPT
SCHEMBL21646384 0.69 KIT (0.40) BRAFKITDDR1MAPT
SCHEMBL23560422 0.68 MTNR1B (0.57) PIK3CAMAPT
SCHEMBL15196112 0.68 MDM2 (0.67)
SCHEMBL7067259 0.68 TP53 (0.43) BRAFKITDDR1
SCHEMBL10622694 0.67 CDK2 (0.43) KDM4EMAPT

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-3731848-A1 TARGETING THE CBM SIGNALOSOME COMPLEX INDUCES REGULATORY T CELLS TO INFLAME THE TUMOR MICROENVIRONMENT The General Hospital Corporation (US) 2020-11-04 EP disclosed