SCHEMBL28709207

SCHEMBL28709207

Cc1ccc(NC(=O)c2ccc(C3CN3C)cc2)cc1Nc1nccc(-c2cnccn2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 0.62
PDGFRA P16234 11/20 0.62
BCR P11274 11/20 0.62
PDGFRB P09619 7/20 0.62
EGFR P00533 2/20 0.62
PRKCA P17252 1/20 0.62
KIT P10721 9/20 0.57
ABL2 P42684 3/20 0.57
PLK4 O00444 1/20 0.57
DDX3X O00571 1/20 0.57
GAK O14976 1/20 0.57
SLC22A2 O15244 1/20 0.57
MAPK13 O15264 1/20 0.57
CA12 O43570 1/20 0.57
SLC22A3 O75751 1/20 0.57
ABCB11 O95342 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
LMNA P02545 1/20 0.57
ALB P02768 1/20 0.57

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
SCHEMBL24251084 0.87 ABL1 (0.55) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL29551281 0.87 ABL1 (0.55) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL28699500 0.86 ABL1 (0.54) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL2944323 0.79 ABL1 (0.66) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL2945981 0.79 BRAF (0.68) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL29551282 0.79 ABL1 (0.71) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL24250933 0.79 ABL1 (0.71) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL3560726 0.78 ABL1 (0.83) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL2945171 0.77 ABL1 (0.63) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL2945911 0.77 ABL1 (0.68) ABL1PDGFRABCRPDGFRBEGFR

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
CN-114127065-A Compounds for the treatment of neurodegenerative diseases and cancer 鸿仪有限责任公司 2022-03-01 CN claimed