SCHEMBL27782896

SCHEMBL27782896

Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nc(-c5cccnc5)cs4)c3)cc(C(F)(F)F)c2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 18/20 1.00
BCR P11274 13/20 1.00
PDGFRB P09619 4/20 0.78
KIT P10721 4/20 0.78
LCK P06239 3/20 0.78
LYN P07948 3/20 0.78
PDGFRA P16234 3/20 0.78
FLT3 P36888 3/20 0.78
DDR2 Q16832 3/20 0.78
LDLR P01130 2/20 0.78
PCSK9 Q8NBP7 2/20 0.78
ADORA3 P0DMS8 2/20 0.78
HCK P08631 2/20 0.78
EPHB6 O15197 1/20 0.78
CA12 O43570 1/20 0.78
CACNA1F O60840 1/20 0.78
SLC22A3 O75751 1/20 0.78
STK10 O94804 1/20 0.78
CA1 P00915 1/20 0.78
CA2 P00918 1/20 0.78

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
SCHEMBL27804465 0.94 ABL1 (1.00) ABL1BCRPDGFRBKITLCK
SCHEMBL27804457 0.91 ABL1 (0.86) ABL1BCRPDGFRBKITLCK
SCHEMBL27782902 0.91 ABL1 (1.00) ABL1BCRPDGFRBKITLCK
SCHEMBL27782897 0.90 ABL1 (1.00) ABL1BCRPDGFRBKITLCK
SCHEMBL27804459 0.90 ABL1 (1.00) ABL1BCRPDGFRBKITLCK
SCHEMBL27782911 0.89 ABL1 (0.86) ABL1BCRPDGFRBKITLCK
SCHEMBL27804464 0.89 ABL1 (0.85) ABL1BCRPDGFRBKITLCK
SCHEMBL5023657 0.88 ABL1 (0.80) ABL1BCRPDGFRBKITLCK
SCHEMBL27782899 0.88 ABL1 (1.00) ABL1BCRPDGFRBKITLCK
SCHEMBL27782893 0.88 ABL1 (0.79) ABL1BCRPDGFRBKITLCK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101747330-B Pyridyl thiazole amine compound and medicinal composition and application thereof GUANGZHOU INST BIOMED & HEALTH 2012-03-21 CN disclosed
CN-101747330-A Pyridyl thiazole amine compound and medicinal composition and application thereof GUANGZHOU INST BIOMED & HEALTH 2010-06-23 CN disclosed