SCHEMBL4045589

SCHEMBL4045589

Nc1ncc(-c2cnn(C3CCCNC3)c2)nc1-c1nc2cc(F)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.56
MET P08581 2/20 0.46
ATR Q13535 5/20 0.42
FGFR1 P11362 8/20 0.42
FGFR2 P21802 8/20 0.42
FGFR3 P22607 8/20 0.42
NTRK1 P04629 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
BMPR1A P36894 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 1/20 0.41
MAP4K3 Q8IVH8 1/20 0.40

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
SCHEMBL4042032 0.90 EGFR (0.62) EGFRMETATRFGFR1FGFR2
SCHEMBL4044782 0.85 EGFR (0.61) EGFRMETATRFGFR1FGFR2
SCHEMBL4044231 0.85 EGFR (0.78) EGFRMETATRFGFR1FGFR2
SCHEMBL4047639 0.85 EGFR (0.44) EGFRMETATRFGFR1FGFR2
SCHEMBL4049905 0.83 EGFR (0.64) EGFRMETATRFGFR1FGFR2
SCHEMBL4047605 0.81 EGFR (0.62) EGFRMETATRFGFR1FGFR2
SCHEMBL4045729 0.80 EGFR (0.60) EGFRMETATRFGFR1FGFR2
SCHEMBL4041097 0.80 EGFR (0.47) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4043542 0.79 EGFR (0.59) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4045787 0.78 EGFR (0.78) EGFRMETATRFGFR1FGFR2

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