SCHEMBL6878546

SCHEMBL6878546

CN1CCN(C2CCC(n3cc(-c4ccc(NS(=O)(=O)c5ccc(Br)s5)c(F)c4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK3 Q9NZJ5 5/20 0.68
▸ TEK Q02763 2/20 0.63
▸ EGFR P00533 2/20 0.59
▸ ERBB2 P04626 2/20 0.59
▸ ERBB4 Q15303 2/20 0.59
▸ IGF1R P08069 1/20 0.59
▸ ERBB3 P21860 1/20 0.59
▸ PLK4 O00444 1/20 0.52
▸ DCLK1 O15075 1/20 0.52
▸ PDPK1 O15530 1/20 0.52
▸ PRKD3 O94806 1/20 0.52
▸ MAP4K4 O95819 1/20 0.52
▸ PAK4 O96013 1/20 0.52
▸ CHEK2 O96017 1/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ NTRK1 P04629 1/20 0.52
▸ INSR P06213 1/20 0.52
▸ LCK P06239 1/20 0.52
▸ FYN P06241 1/20 0.52
▸ CSF1R P07333 1/20 0.52

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
SCHEMBL6878984 0.92 TEK (0.62) EIF2AK3TEKEGFRERBB2ERBB4
SCHEMBL2074564 0.90 EIF2AK3 (0.64) EIF2AK3TEKEGFRIGF1RABL1
SCHEMBL6465057 0.88 TEK (0.65) EIF2AK3TEKEGFRERBB2ERBB4
SCHEMBL6876636 0.88 TEK (0.60) EIF2AK3TEKEGFRERBB2ERBB4
SCHEMBL6464340 0.87 EIF2AK3 (0.70) EIF2AK3TEKEGFRERBB2ERBB4
SCHEMBL6464132 0.87 TEK (0.67) EIF2AK3TEKEGFRERBB2ERBB4
SCHEMBL6465164 0.87 TEK (0.63) EIF2AK3TEKEGFRERBB2ERBB4
SCHEMBL6459268 0.87 TEK (0.65) EIF2AK3TEKEGFRERBB2ERBB4
Benzenesulfonamide SCHEMBL6885520 0.87 TEK (0.65) EIF2AK3TEKEGFRERBB2ERBB4
SCHEMBL6462003 0.87 TEK (0.68) EIF2AK3TEKEGFRERBB2ERBB4

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-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 — — WO disclosed
WO-2001072751-A1 PYRROLOPYRIMIDINES AS TYROSINE KINASE INHIBITORS KNOLL GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2001-10-04 — — WO disclosed
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