SCHEMBL15048554

SCHEMBL15048554

COc1cc(N2CCC(N3CCOCC3)CC2)ccc1N(c1ncc2ccc(-c3c(OC)cccc3OC)n2n1)C(F)(F)C(=O)OF

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.48
INSR P06213 5/20 0.48
NPM1 P06748 3/20 0.48
EGFR P00533 4/20 0.41
JAK2 O60674 2/20 0.39
FGFR1 P11362 1/20 0.38
CAMK2D Q13557 1/20 0.37
IGF1R P08069 1/20 0.36
ROS1 P08922 1/20 0.36
MAPK10 P53779 2/20 0.36
TTK P33981 1/20 0.35
FLT3 P36888 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK9 P45984 1/20 0.35
PTK2 Q05397 1/20 0.35

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
SCHEMBL520421 0.88 ALK (0.49) ALKINSRNPM1EGFRJAK2
Trifluoroacetic Acid SCHEMBL520420 0.78 ALK (0.64) ALKINSRNPM1EGFRJAK2
SCHEMBL520848 0.77 ALK (0.50) ALKINSRNPM1EGFRJAK2
SCHEMBL520340 0.76 INSR (0.52) ALKINSRNPM1EGFRJAK2
SCHEMBL16531165 0.76 ALK (0.70) ALKINSRNPM1EGFRJAK2
SCHEMBL520313 0.75 ALK (0.55) ALKINSRNPM1EGFRJAK2
SCHEMBL519916 0.73 ALK (0.66) ALKINSRNPM1EGFRJAK2
SCHEMBL520774 0.72 ALK (0.49) ALKINSRNPM1EGFRJAK2
SCHEMBL520769 0.69 INSR (0.39) ALKINSRNPM1EGFRJAK2
SCHEMBL522104 0.69 ALK (0.72) ALKINSRNPM1JAK2IGF1R

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
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US claimed