SCHEMBL6667126

SCHEMBL6667126

COc1cc2nc(Cl)nc(-c3c[nH]c4ccccc34)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 6/20 0.56
▸ PDGFRA P16234 1/20 0.56
▸ EGFR P00533 3/20 0.48
▸ KDR P35968 2/20 0.46
▸ KIT P10721 1/20 0.46
▸ FLT4 P35916 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ ELANE P08246 1/20 0.45
▸ WHR1 P49842 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6181492 0.80 EGFR (0.72) PDGFRBPDGFRAEGFRKDRKIT
SCHEMBL30957576 0.79 CDK7 (0.54) PDGFRBPDGFRAEGFRKDRKIT
SCHEMBL17542563 0.79 CDK7 (0.54) PDGFRBPDGFRAEGFRKDRKIT
SCHEMBL4409462 0.77 WHR1 (0.47) EGFRKDRKITWHR1MEN1
SCHEMBL6667122 0.77 SMN1; SMN2 (0.53) EGFRKDRWHR1MEN1KMT2A
SCHEMBL27117037 0.76 WHR1 (0.71) PDGFRBPDGFRAEGFRKDRWHR1
SCHEMBL20267012 0.74 HTT (0.57) ELANEMEN1KMT2ALMNACYP1A2
SCHEMBL8176662 0.72 KDM4E (0.73) PDGFRBPDGFRAKDRKITFLT4
SCHEMBL1941112 0.72 WHR1 (0.60) PDGFRBPDGFRAEGFRKDRWHR1
SCHEMBL8172242 0.72 PDGFRB (1.00) PDGFRBPDGFRA

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
WO-2004013091-A2 4-ANILIDO SUBSTITUTED QUINAZOLINES AND USE THEREOF AS INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR KINASES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-02-12 — — WO claimed
WO-2004013091-A2 4-ANILIDO SUBSTITUTED QUINAZOLINES AND USE THEREOF AS INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR KINASES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-02-12 — — WO disclosed
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