SCHEMBL7705468

SCHEMBL7705468

COc1ccc(Cn2cc(SC(N)=O)c3c(N)ncnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.43
▸ RIPK2 O43353 6/20 0.41
▸ SRC P12931 5/20 0.41
▸ ABL1 P00519 4/20 0.41
▸ ABL2 P42684 4/20 0.41
▸ SLC29A1 Q99808 1/20 0.40
▸ PDE8B O95263 1/20 0.40
▸ KDR P35968 2/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ NSD3 Q9BZ95 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ TEK Q02763 1/20 0.39

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
SCHEMBL7698505 0.88 FYN (0.39) EGFRRIPK2SRCABL1SLC29A1
SCHEMBL7701508 0.86 KMT2A (0.42) RIPK2SRCSLC29A1NSD3
SCHEMBL7696372 0.85 ADORA2A (0.48) EGFRSRCABL1ABL2KDR
SCHEMBL7704457 0.85 FLT3 (0.41) SRCABL1
SCHEMBL7701895 0.84 EGFR (0.45) EGFRRIPK2SRCABL1ABL2
SCHEMBL8991091 0.81 EGFR (0.43) EGFRRIPK2SRCABL1ABL2
SCHEMBL7697687 0.80 RIPK1 (0.42) RIPK2SRCABL1KDR
SCHEMBL8991089 0.79 EGFR (0.45) EGFRRIPK2SRCABL1ABL2
SCHEMBL7705467 0.79 EGFR (0.45) EGFRRIPK2SRCABL1ABL2
SCHEMBL8991022 0.79 KDM4E (0.44) EGFRSRCABL1ABL2PDE8B

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-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 — — US disclosed
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 — — US disclosed
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