SCHEMBL7975376

SCHEMBL7975376

OCCCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1

nearest known ligand 0.88

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.88
MEN1 O00255 1/20 0.67
ERBB2 P04626 1/20 0.67
KMT2A Q03164 1/20 0.67
TNK2 Q07912 1/20 0.67
MKNK1 Q9BUB5 1/20 0.67

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
SCHEMBL7978682 0.94 EGFR (1.00) EGFRMEN1ERBB2KMT2ATNK2
SCHEMBL18359133 0.87 EGFR (0.80) EGFRMEN1ERBB2KMT2ATNK2
SCHEMBL7965128 0.87 EGFR (0.83) EGFRMEN1ERBB2KMT2ATNK2
SCHEMBL7975547 0.83 EGFR (1.00) EGFRMEN1ERBB2KMT2ATNK2
SCHEMBL2994057 0.82 EGFR (1.00) EGFRERBB2
SCHEMBL2763594 0.81 EGFR (0.82) EGFRMEN1ERBB2KMT2ATNK2
SCHEMBL1262166 0.81 EGFR (1.00) EGFRMEN1ERBB2KMT2ATNK2
SCHEMBL15503449 0.80 EGFR (0.69) EGFRMEN1ERBB2KMT2ATNK2
SCHEMBL20694137 0.78 EGFR (0.80) EGFR
SCHEMBL27562085 0.78 EGFR (0.73) EGFRMEN1ERBB2KMT2ATNK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997026259-A1 IMPROVED PROCESS FOR PREPARING 4,6-DISUBSTITUTED PYRIDO[3,4-d]PYRIMIDINES WARNER-LAMBERT COMPANY (US) 1997-07-24 WO claimed
US-6313292-B1 REACTION FROM 5-AMINO-2-FLUOROPYRIDINE; AMINATION, CYCLIZATION, CHLORINATION, SALT FORMATION, DECHLORINATION, DEBLOCKING WARNER-LAMBERT COMPANY 2001-11-06 US disclosed
WO-1997026259-A1 IMPROVED PROCESS FOR PREPARING 4,6-DISUBSTITUTED PYRIDO[3,4-d]PYRIMIDINES WARNER-LAMBERT COMPANY (US) 1997-07-24 WO disclosed