SCHEMBL27782899

SCHEMBL27782899

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 1.00
BCR P11274 14/20 1.00
PDGFRB P09619 7/20 0.64
KIT P10721 6/20 0.64
LCK P06239 5/20 0.64
LYN P07948 5/20 0.64
PDGFRA P16234 5/20 0.64
DDR2 Q16832 5/20 0.64
FLT3 P36888 4/20 0.64
FYN P06241 2/20 0.60
CSF1R P07333 2/20 0.60
YES1 P07947 2/20 0.60
HCK P08631 2/20 0.60
FGR P09769 2/20 0.60
SRC P12931 2/20 0.60
BRAF P15056 2/20 0.60
NQO2 P16083 2/20 0.60
EPHA3 P29320 2/20 0.60
EPHA8 P29322 2/20 0.60
ABL2 P42684 2/20 0.60

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
SCHEMBL27782902 0.91 ABL1 (1.00) ABL1BCRPDGFRBKITLCK
SCHEMBL27804459 0.91 ABL1 (1.00) ABL1BCRPDGFRBKITLCK
SCHEMBL27782903 0.90 ABL1 (0.82) ABL1BCRPDGFRBKITLCK
SCHEMBL27804457 0.90 ABL1 (0.86) ABL1BCRPDGFRBKITLCK
SCHEMBL27782911 0.90 ABL1 (0.86) ABL1BCRPDGFRBKITLCK
SCHEMBL27804464 0.89 ABL1 (0.85) ABL1BCRPDGFRBKITLCK
SCHEMBL27804465 0.89 ABL1 (1.00) ABL1BCRPDGFRBKITLCK
SCHEMBL27782896 0.88 ABL1 (1.00) ABL1BCRPDGFRBKITLCK
SCHEMBL27804462 0.86 ABL1 (0.76) ABL1BCRPDGFRBKITLCK
SCHEMBL27804468 0.81 ABL1 (0.82) 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