SCHEMBL1920509

SCHEMBL1920509

CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1.Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O[C@H]1CCOC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.67
FBP1 P09467 1/20 0.64
ERBB2 P04626 2/20 0.62
ABL1 P00519 1/20 0.62
RET P07949 1/20 0.62
ERBB4 Q15303 1/20 0.62
EPHA2 P29317 1/20 0.61
KDR P35968 1/20 0.61
EPHB4 P54760 1/20 0.61

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
SCHEMBL5906958 0.94 FBP1 (0.73) EGFRFBP1ERBB2ABL1RET
SCHEMBL185039 0.92 FBP1 (0.75) EGFRFBP1ERBB2ABL1RET
SCHEMBL29623565 0.92 FBP1 (0.75) EGFRFBP1ERBB2ABL1RET
SCHEMBL13606740 0.91 EGFR (0.70) EGFRERBB2EPHA2KDREPHB4
SCHEMBL29623554 0.91 EGFR (0.70) EGFRERBB2EPHA2KDREPHB4
SCHEMBL185864 0.91 EGFR (0.70) EGFRERBB2EPHA2KDREPHB4
SCHEMBL231729 0.91 EGFR (0.70) EGFRERBB2EPHA2KDREPHB4
SCHEMBL7219629 0.90 EGFR (0.72) EGFRERBB2
SCHEMBL5223991 0.90 EGFR (0.72) EGFRERBB2
SCHEMBL1446628 0.90 EGFR (0.65) EGFRFBP1ERBB2KDREPHB4

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
EP-2326374-A1 INHALER Boehringer Ingelheim International GmbH (DE) 2011-06-01 EP disclosed