SCHEMBL4042032

SCHEMBL4042032

Nc1ncc(-c2cnn(C3CCNCC3)c2)nc1-c1nc2cc(F)ccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.62
NTRK1 P04629 1/20 0.51
FGFR1 P11362 7/20 0.51
FGFR2 P21802 7/20 0.51
FGFR3 P22607 7/20 0.51
MAP4K3 Q8IVH8 4/20 0.49
ALK Q9UM73 2/20 0.48
GRK5 P34947 2/20 0.47
MET P08581 1/20 0.47
GRK2 P25098 1/20 0.47
JAK2 O60674 2/20 0.47
JAK1 P23458 2/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 2/20 0.47
ATR Q13535 1/20 0.46

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
SCHEMBL4044782 0.90 EGFR (0.61) EGFRNTRK1FGFR1FGFR2FGFR3
SCHEMBL4045729 0.90 EGFR (0.60) EGFRNTRK1FGFR1FGFR2FGFR3
SCHEMBL4045589 0.90 EGFR (0.56) EGFRNTRK1FGFR1FGFR2FGFR3
SCHEMBL4044231 0.90 EGFR (0.78) EGFRNTRK1FGFR1FGFR2FGFR3
SCHEMBL4043542 0.89 EGFR (0.59) EGFRFGFR1FGFR2FGFR3MAP4K3
SCHEMBL4049905 0.87 EGFR (0.64) EGFRNTRK1FGFR1FGFR2FGFR3
SCHEMBL4038019 0.87 EGFR (0.80) EGFRFGFR1FGFR2FGFR3MET
SCHEMBL4044744 0.87 EGFR (0.56) EGFRNTRK1FGFR1FGFR2FGFR3
SCHEMBL4041097 0.86 EGFR (0.47) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL4047605 0.86 EGFR (0.62) EGFRNTRK1FGFR1FGFR2FGFR3

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