SCHEMBL13838527

SCHEMBL13838527

C=C(/C=C(/C)ON)Oc1ccc(CC)c(-c2cnc(NC(=O)c3cnccc3C)cn2)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 3/20 0.36
▸ MAP4K1 Q92918 12/20 0.34
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ ABL1 P00519 1/20 0.31

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
SCHEMBL13838459 0.90 ABCB1 (0.36) MAP4K1ABL1
SCHEMBL18670930 0.83 RAB9A (0.43) IL2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13727611 0.80 IL2 (0.41) IL2ABL1
SCHEMBL13838345 0.79 KDM1A (0.40) IL2MAP4K1ABL1
SCHEMBL15803768 0.79 IL2 (0.43) IL2MAP4K1ABL1
SCHEMBL18671426 0.77 IL2 (0.39) IL2MAP4K1CHRNB2CHRNB4CHRNA3
SCHEMBL15793257 0.76 RAB9A (0.39) IL2
SCHEMBL21316350 0.76 IL2 (0.43) IL2
SCHEMBL13838404 0.73 DYRK1A (0.47) IL2MAP4K1
SCHEMBL13728380 0.72 IL2 (0.40) IL2ABL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012151355-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 — — WO disclosed
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