SCHEMBL4040666

SCHEMBL4040666

CN1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5[nH]4)n3)cn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 1.00
ATR Q13535 10/20 0.58
PRKDC P78527 1/20 0.52
ATM Q13315 1/20 0.52
FGFR1 P11362 1/20 0.52
FGFR2 P21802 1/20 0.52
FGFR3 P22607 1/20 0.52

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
SCHEMBL4041430 0.89 EGFR (0.80) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4038019 0.89 EGFR (0.80) EGFRATRPRKDCATMFGFR1
SCHEMBL4043236 0.89 EGFR (0.79) EGFRATRPRKDCATM
SCHEMBL4041919 0.88 EGFR (0.79) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4044231 0.88 EGFR (0.78) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4045787 0.88 EGFR (0.78) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4043377 0.88 EGFR (0.78) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4045492 0.88 EGFR (0.78) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4045979 0.86 EGFR (0.76) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4045605 0.85 EGFR (0.74) EGFRATRFGFR1FGFR2FGFR3

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