SCHEMBL4043542

SCHEMBL4043542

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

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.59
ATR Q13535 4/20 0.53
MAP4K3 Q8IVH8 4/20 0.51
FGFR1 P11362 7/20 0.49
FGFR2 P21802 7/20 0.49
FGFR3 P22607 7/20 0.49
GRK2 P25098 2/20 0.45
GRK5 P34947 2/20 0.45
KHK P50053 2/20 0.43

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
SCHEMBL4045605 0.90 EGFR (0.74) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4042032 0.89 EGFR (0.62) EGFRATRMAP4K3FGFR1FGFR2
SCHEMBL4045729 0.86 EGFR (0.60) EGFRATRMAP4K3FGFR1FGFR2
SCHEMBL4038019 0.85 EGFR (0.80) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4052591 0.83 EGFR (0.64) EGFRATRMAP4K3FGFR1FGFR2
SCHEMBL4044744 0.83 EGFR (0.56) EGFRMAP4K3FGFR1FGFR2FGFR3
SCHEMBL4044782 0.79 EGFR (0.61) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4045589 0.79 EGFR (0.56) EGFRATRMAP4K3FGFR1FGFR2
SCHEMBL4044231 0.79 EGFR (0.78) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL2681173 0.79 GRK5 (0.58) MAP4K3GRK2GRK5

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