SCHEMBL4433606

SCHEMBL4433606

COc1cc(COc2cc(NC(=O)c3nccnc3C3CNCC(C)N3C)[nH]n2)cc(OC)c1.COc1cc(COc2cc(NC(=O)c3nccnc3Cl)[nH]n2)cc(OC)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
NTRK1 P04629 1/20 0.31
RET P07949 1/20 0.31
PDGFRB P09619 1/20 0.31
FGFR1 P11362 1/20 0.31
MARK3 P27448 1/20 0.31
TNK2 Q07912 1/20 0.31
DDR1 Q08345 1/20 0.31
MAP4K2 Q12851 1/20 0.31
MAP3K11 Q16584 1/20 0.31
DDR2 Q16832 1/20 0.31
MARK2 Q7KZI7 1/20 0.31
MAP4K3 Q8IVH8 1/20 0.31
MAP4K1 Q92918 1/20 0.31
AURKB Q96GD4 1/20 0.31
EIF2AK1 Q9BQI3 1/20 0.31
MAP3K20 Q9NYL2 1/20 0.31
STK26 Q9P289 1/20 0.31
TNIK Q9UKE5 1/20 0.31

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
SCHEMBL4569573 0.88 FGFR1 (0.37) MAPTTSHRNTRK1RETPDGFRB
SCHEMBL4440401 0.84 MAPT (0.46) MAPTTSHR
SCHEMBL4441714 0.80 KDM4E (0.36) MAPTTSHRNTRK1RETPDGFRB
SCHEMBL4441793 0.74 FGFR1 (0.39) FGFR1
SCHEMBL65494 0.71 FGFR1 (0.36) NTRK1RETPDGFRBFGFR1MARK3
SCHEMBL64483 0.71 FGFR1 (0.36) NTRK1RETPDGFRBFGFR1MARK3
SCHEMBL62670 0.71 FGFR1 (0.52) MAPTTSHRNTRK1RETPDGFRB
SCHEMBL63608 0.71 HDAC3 (0.44) MAPTNTRK1RETPDGFRBFGFR1
SCHEMBL64313 0.68 NPC1 (0.53) MAPT
SCHEMBL65181 0.68 FGFR1 (0.49) MAPTTSHRNTRK1RETPDGFRB

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
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed