SCHEMBL7490989

SCHEMBL7490989

COC(=O)c1cncc(/C=C/c2cccc(-n3c(=O)c(Cc4cccnc4)nc4cccnc43)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.40
BTK Q06187 1/20 0.40
ITK Q08881 1/20 0.40
PSD A5PKW4 1/20 0.38
TP53 P04637 3/20 0.37
POLB P06746 1/20 0.37
PDE4B Q07343 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PDE4D Q08499 1/20 0.36
KDM4E B2RXH2 1/20 0.35
RAD1 O60671 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CFTR P13569 1/20 0.35
APEX1 P27695 1/20 0.35
CASP6 P55212 1/20 0.35
KMT2A Q03164 1/20 0.35
RAD51 Q06609 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
GOPC Q9HD26 1/20 0.35

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
SCHEMBL7490991 1.00 EGFR (0.40) EGFRBTKITKPSDTP53
SCHEMBL8065833 0.89 KDM4E (0.41) EGFRBTKITKPSDTP53
SCHEMBL7487766 0.89 KDM4E (0.41) EGFRBTKITKPSDTP53
SCHEMBL8065829 0.89 KDM4E (0.41) EGFRBTKITKPSDTP53
SCHEMBL6796416 0.87 ALDH1A1 (0.46) EGFRBTKITKTP53POLB
SCHEMBL6798020 0.87 PSD (0.46) EGFRBTKITKPSDPDE4B
SCHEMBL6798012 0.87 PSD (0.46) EGFRBTKITKPSDPDE4B
SCHEMBL6804121 0.86 EGFR (0.43) EGFRBTKITKPSDTP53
SCHEMBL6804117 0.86 EGFR (0.43) EGFRBTKITKPSDTP53
SCHEMBL6795769 0.85 MAPT (0.41) EGFRBTKITKPSDPDE4B

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
EP-0874845-B1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 EP disclosed
US-6117875-A Pyrido (2,3-B) pyrazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-12 US disclosed