SCHEMBL4694151

SCHEMBL4694151

FC(F)(F)c1cccc(Nc2ccc3ncn(-c4cc(C5CC5)[nH]n4)c3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.55
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
AURKA O14965 5/20 0.41
IGF1R P08069 2/20 0.41
LCK P06239 1/20 0.39
EIF2AK2 P19525 1/20 0.39
SYK P43405 1/20 0.39
BMX P51813 1/20 0.39
PIM1 P11309 1/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PRKDC P78527 1/20 0.38
EGFR P00533 1/20 0.38
ERBB4 Q15303 1/20 0.38
JAK2 O60674 1/20 0.37

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
SCHEMBL4694146 0.86 NTRK1 (0.53) NTRK1CCNA2CDK2CCNA1IGF1R
SCHEMBL4693854 0.74 NTRK1 (0.59) NTRK1JAK2
SCHEMBL4696455 0.74 NTRK1 (0.64) NTRK1MAPTPIM1JAK2
SCHEMBL4698219 0.72 NTRK1 (0.59) NTRK1IGF1RPIM1JAK2
SCHEMBL4750903 0.72 NTRK1 (0.79) NTRK1JAK2
SCHEMBL4694035 0.72 NTRK1 (0.54) NTRK1IGF1RPIM1JAK2
SCHEMBL56800 0.72 NTRK1 (0.79) NTRK1JAK2
SCHEMBL4695287 0.71 NTRK1 (0.62) NTRK1CCNA2CDK2CCNA1IGF1R
SCHEMBL4696570 0.71 NTRK1 (0.75) NTRK1IGF1RJAK2
SCHEMBL3774702 0.71 NTRK1 (1.00) NTRK1JAK2

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-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP disclosed