SCHEMBL6995800

SCHEMBL6995800

CN1CCN(C(=O)CNc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.68
ERBB2 P04626 11/20 0.68
HPGD P15428 1/20 0.68
HTT P42858 1/20 0.68
ERBB4 Q15303 4/20 0.52
JAK3 P52333 1/20 0.52
MAPT P10636 1/20 0.51
BRD4 O60885 1/20 0.47
AXL P30530 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL8487002 0.92 EGFR (0.59) EGFRERBB2HPGDHTTERBB4
SCHEMBL8485063 0.90 EGFR (0.57) EGFRERBB2HPGDHTTERBB4
SCHEMBL8522097 0.85 EGFR (0.59) EGFRERBB2HPGDHTTERBB4
SCHEMBL6993725 0.85 EGFR (0.68) EGFRERBB2HPGDHTTERBB4
SCHEMBL8317451 0.84 EGFR (0.69) EGFRERBB2HPGDHTTERBB4
SCHEMBL6997525 0.84 EGFR (0.67) EGFRERBB2HPGDHTTERBB4
SCHEMBL6991323 0.84 EGFR (0.61) EGFRERBB2HPGDHTTERBB4
SCHEMBL8315593 0.82 EGFR (0.59) EGFRERBB2HPGDHTTERBB4
SCHEMBL6986993 0.82 EGFR (0.76) EGFRERBB2HPGDHTTERBB4
SCHEMBL8319020 0.82 EGFR (0.59) EGFRERBB2HPGDHTTERBB4

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-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP disclosed