SCHEMBL22474765

SCHEMBL22474765

CNc1nccc(Nc2nc3ccc(Oc4ccccc4)nc3s2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCK P08631 7/20 0.61
BTK Q06187 7/20 0.61
KDR P35968 2/20 0.42
INSR P06213 1/20 0.42
FLT4 P35916 1/20 0.42
LCK P06239 4/20 0.41
AURKB Q96GD4 2/20 0.41
ITK Q08881 1/20 0.41
GPR39 O43194 1/20 0.39
ABL1 P00519 1/20 0.39
CSF1R P07333 1/20 0.39
PDGFRB P09619 1/20 0.39
MAP2K2 P36507 1/20 0.39
CDK7 P50613 1/20 0.39
MAOB P27338 1/20 0.38
AURKA O14965 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CHEK1 O14757 1/20 0.36
IKBKB O14920 1/20 0.36

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
SCHEMBL19229775 0.87 HCK (0.63) HCKBTKKDRLCKAURKB
SCHEMBL22474750 0.84 HCK (0.60) HCKBTKKDRPRKCD
SCHEMBL19205364 0.84 HCK (0.60) HCKBTKKDRLCKAURKB
SCHEMBL19240435 0.82 HCK (0.57) HCKBTKKDRLCKAURKB
SCHEMBL19229776 0.80 BTK (0.75) HCKBTKKDRLCKAURKB
SCHEMBL19205354 0.76 HCK (1.00) HCKBTKKDRLCKAURKB
SCHEMBL21980960 0.75 BTK (0.72) HCKBTKKDRLCKAURKB
SCHEMBL19205442 0.74 BTK (1.00) HCKBTKITK
SCHEMBL19205329 0.74 BTK (1.00) HCKBTKITK
SCHEMBL19205330 0.74 BTK (1.00) HCKBTKITK

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-3715346-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES Dana-Farber Cancer Institute (US) 2020-09-30 EP disclosed