SCHEMBL20125519

SCHEMBL20125519

CCOc1nc(N)cc(Oc2ccc(-c3nnc(Nc4ccc(C)c(CCCOc5nc(N)cc(Oc6ccc(-c7nnc(Nc8cc(C)cc(C)c8)[nH]7)cc6)n5)c4)[nH]3)cc2)n1

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.30
KIT P10721 1/20 0.30
PDGFRA P16234 1/20 0.30
CDK11B P21127 1/20 0.30
FLT3 P36888 1/20 0.30
CDKL2 Q92772 1/20 0.30
CHKA P35790 1/20 0.30

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
SCHEMBL12336296 0.89 CHKA (0.35) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL12336247 0.86 PDGFRB (0.35) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL14949266 0.83 PDGFRB (0.40) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL14949693 0.82 PDGFRB (0.35) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL12336255 0.82 PDGFRB (0.33) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL14949291 0.78 KIT (0.38) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL12336257 0.78 PDGFRB (0.39) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL14949254 0.77 RAB9A (0.38) CHKA
SCHEMBL20125542 0.77 PDGFRB (0.31) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL12348779 0.77 NUDT1 (0.37) PDGFRBKITPDGFRACDK11BFLT3

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-2550266-B1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION AMITECH THERAPEUTICS SOLUTIONS INC (US) 2018-05-09 EP disclosed