SCHEMBL27782897

SCHEMBL27782897

Cc1ccc(C(=O)Nc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 19/20 1.00
BCR P11274 14/20 1.00
PDGFRB P09619 4/20 0.63
KIT P10721 3/20 0.63
BRAF P15056 3/20 0.63
LCK P06239 2/20 0.63
FYN P06241 2/20 0.63
CSF1R P07333 2/20 0.63
YES1 P07947 2/20 0.63
LYN P07948 2/20 0.63
HCK P08631 2/20 0.63
FGR P09769 2/20 0.63
SRC P12931 2/20 0.63
NQO2 P16083 2/20 0.63
PDGFRA P16234 2/20 0.63
EPHA3 P29320 2/20 0.63
EPHA8 P29322 2/20 0.63
ABL2 P42684 2/20 0.63
FRK P42685 2/20 0.63
BLK P51451 2/20 0.63

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
SCHEMBL27782901 0.94 ABL1 (0.88) ABL1BCRPDGFRBKITBRAF
SCHEMBL27804477 0.91 ABL1 (0.83) ABL1BCRPDGFRBKITBRAF
SCHEMBL27804468 0.90 ABL1 (0.82) ABL1BCRPDGFRBKITBRAF
SCHEMBL27782896 0.90 ABL1 (1.00) ABL1BCRPDGFRBKITBRAF
SCHEMBL27782924 0.90 ABL1 (0.81) ABL1BCRPDGFRBKITBRAF
SCHEMBL5023657 0.90 ABL1 (0.80) ABL1BCRPDGFRBKITBRAF
SCHEMBL27782910 0.89 ABL1 (0.80) ABL1BCRPDGFRBKITBRAF
SCHEMBL27783033 0.89 ABL1 (0.81) ABL1BCRPDGFRBKITBRAF
SCHEMBL27804469 0.88 ABL1 (0.79) ABL1BCRPDGFRBKITBRAF
SCHEMBL27804467 0.88 ABL1 (0.82) ABL1BCRPDGFRBKITBRAF

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