SCHEMBL7965274

SCHEMBL7965274

CNc1cc2c(Nc3cccc(C)c3)ncnc2cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 1.00
ERBB2 P04626 4/20 0.76
MEN1 O00255 1/20 0.76
KMT2A Q03164 1/20 0.76
TNK2 Q07912 1/20 0.76
MKNK1 Q9BUB5 1/20 0.76
MAPK1 P28482 1/20 0.63
HTT P42858 1/20 0.62
HIF1A Q16665 1/20 0.62

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
SCHEMBL7978486 0.87 EGFR (1.00) EGFRERBB2MEN1KMT2ATNK2
SCHEMBL1262166 0.86 EGFR (1.00) EGFRERBB2MEN1KMT2ATNK2
SCHEMBL14040743 0.86 EGFR (0.76) EGFRERBB2MEN1KMT2ATNK2
SCHEMBL7976884 0.86 EGFR (1.00) EGFRERBB2MEN1KMT2ATNK2
SCHEMBL2991673 0.83 EGFR (1.00) EGFRERBB2MAPK1HTTHIF1A
SCHEMBL7975392 0.83 EGFR (0.73) EGFRERBB2MAPK1HTTHIF1A
SCHEMBL7978491 0.83 EGFR (1.00) EGFRERBB2MEN1KMT2ATNK2
SCHEMBL8817803 0.82 EGFR (0.74) EGFRERBB2MEN1KMT2ATNK2
SCHEMBL2991666 0.82 EGFR (1.00) EGFRERBB2
SCHEMBL8872089 0.82 EGFR (1.00) EGFRERBB2MAPK1HTTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313292-B1 REACTION FROM 5-AMINO-2-FLUOROPYRIDINE; AMINATION, CYCLIZATION, CHLORINATION, SALT FORMATION, DECHLORINATION, DEBLOCKING WARNER-LAMBERT COMPANY 2001-11-06 US claimed
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-20100292209-A1 METHODS FOR IDENTIFYING COMPOUNDS THAT MODULATE NEUROTROPHIC FACTOR SIGNALING MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-11-18 US disclosed
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