SCHEMBL3948919

SCHEMBL3948919

CC(C)Cc1cccc2[nH]c(-c3nc(-c4cnn(C5CCNCC5)c4)cnc3N)nc12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.57
FGFR1 P11362 5/20 0.48
FGFR2 P21802 5/20 0.48
FGFR3 P22607 5/20 0.48
MAP4K3 Q8IVH8 7/20 0.47
JAK2 O60674 2/20 0.45
ALK Q9UM73 1/20 0.45
ATR Q13535 2/20 0.44
NTRK1 P04629 1/20 0.44
IRAK1 P51617 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL3952099 0.92 EGFR (0.59) EGFRFGFR1FGFR2FGFR3MAP4K3
SCHEMBL4052605 0.88 EGFR (0.55) EGFRFGFR1FGFR2FGFR3MAP4K3
SCHEMBL4045036 0.86 EGFR (0.57) EGFRFGFR1FGFR2FGFR3MAP4K3
SCHEMBL4038434 0.85 EGFR (0.57) EGFRFGFR1FGFR2FGFR3MAP4K3
SCHEMBL4035619 0.83 EGFR (0.55) EGFRFGFR1FGFR2FGFR3MAP4K3
SCHEMBL4052067 0.82 EGFR (0.55) EGFRFGFR1FGFR2FGFR3MAP4K3
SCHEMBL4038019 0.82 EGFR (0.80) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL4044869 0.82 MAP4K3 (0.56) EGFRFGFR1FGFR2FGFR3MAP4K3
SCHEMBL4038747 0.80 EGFR (0.54) EGFRFGFR1FGFR2FGFR3MAP4K3
SCHEMBL4036451 0.80 EGFR (0.62) EGFRFGFR1FGFR2FGFR3MAP4K3

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
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed