SCHEMBL7220144

SCHEMBL7220144

O=C(C#CCCN1CCOCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
ERBB2 P04626 17/20 1.00
ERBB4 Q15303 16/20 1.00
JAK3 P52333 2/20 0.68
MEN1 O00255 1/20 0.67
KMT2A Q03164 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
SCHEMBL7221044 0.95 EGFR (0.91) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL7214306 0.95 EGFR (0.90) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL7216617 0.91 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL7214608 0.86 EGFR (0.91) EGFRERBB2ERBB4
SCHEMBL7221038 0.85 EGFR (0.90) EGFRERBB2ERBB4
SCHEMBL7214043 0.84 EGFR (0.78) EGFRERBB2ERBB4
SCHEMBL7220678 0.84 EGFR (0.75) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL7216415 0.82 EGFR (0.84) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL7220355 0.82 EGFR (0.84) EGFRERBB2ERBB4JAK3
SCHEMBL7220753 0.81 EGFR (0.84) EGFRERBB2ERBB4MEN1KMT2A

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
US-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 US claimed
US-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 US disclosed