SCHEMBL5740281

SCHEMBL5740281

COC(=O)Oc1cn2ncnc(C3C(=O)Nc4cc(C#N)ccc43)c2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.42
MAPK14 Q16539 3/20 0.33
BRD4 O60885 1/20 0.32
KDR P35968 4/20 0.32
EGLN2 Q96KS0 3/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
FLT1 P17948 1/20 0.32
LTK P29376 1/20 0.32
GRK5 P34947 1/20 0.32
MAP2K2 P36507 1/20 0.32
FLT3 P36888 1/20 0.32
MAPK8 P45983 1/20 0.32
CSNK1A1 P48729 1/20 0.32

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
SCHEMBL5740319 0.93 KDR (0.37) CHEK1MAPK14BRD4KDREGLN2
SCHEMBL4052615 0.86 KDR (0.44) CHEK1MAPK14KDR
SCHEMBL5740055 0.85 MAPT (0.35) MAPK14KDRMETKDM4EALDH1A1
SCHEMBL5740494 0.85 KDR (0.35) MAPK14KDRMAP4K4RETPDGFRB
SCHEMBL5738802 0.85 KDR (0.32) MAPK14KDRMAP4K4RETPDGFRB
SCHEMBL5739596 0.82 MET (0.39) MAPK14KDRMAP4K4RETPDGFRB
SCHEMBL5740803 0.81 MAPK14 (0.41) MAPK14BRD4KDRMAP4K4RET
SCHEMBL5740106 0.80 SYK (0.37) MAPK14KDRMAP4K4RETPDGFRB
SCHEMBL4048222 0.79 KDR (0.43) MAPK14KDRAURKADAPK3PRKD3
SCHEMBL5739297 0.79 MAPT (0.34) MAPK14KDRMAP4K4RETPDGFRB

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-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP claimed