SCHEMBL6667122

SCHEMBL6667122

COc1cc2nc(Cl)nc(-c3cc4ccccc4[nH]3)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ KDR P35968 3/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CCND1 P24385 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CCND3 P30281 1/20 0.46
▸ WHR1 P49842 1/20 0.44
▸ ITK Q08881 6/20 0.44
▸ NPC1 O15118 2/20 0.44

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
SCHEMBL27117037 0.77 WHR1 (0.71) SMN1; SMN2KDM4EMAPTALDH1A1MEN1
SCHEMBL6667126 0.77 PDGFRB (0.56) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL14765132 0.75 RAB9A (0.56) SMN1; SMN2KDM4EMAPTRAB9AALDH1A1
SCHEMBL13700949 0.73 MEN1 (0.60) SMN1; SMN2KDM4EMAPTRAB9AALDH1A1
SCHEMBL1941112 0.73 WHR1 (0.60) SMN1; SMN2KDM4EMAPTALDH1A1MEN1
SCHEMBL4409462 0.73 WHR1 (0.47) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL27117143 0.70 ALDH1A1 (0.57) SMN1; SMN2KDM4EMAPTALDH1A1KDR
2-(2'-Methoxyphenyl)-1H-Indole SCHEMBL5634916 0.70 KDM4E (1.00) SMN1; SMN2KDM4EMAPTRAB9AALDH1A1
2-(2'-Methoxyphenyl)-1H-Indole SCHEMBL31053096 0.70 KDM4E (1.00) SMN1; SMN2KDM4EMAPTRAB9AALDH1A1
SCHEMBL27117202 0.70 WHR1 (0.53) SMN1; SMN2KDM4EMAPTALDH1A1KDR

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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