SCHEMBL13838607

SCHEMBL13838607

C=N/C(=N\N(C)N)Oc1ccc(C)c(-c2ccc(NC(=O)c3cncc(F)c3C)nc2)c1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 17/20 0.41
▸ IL2 P60568 2/20 0.37
▸ ABCB1 P08183 1/20 0.35

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
SCHEMBL13727379 0.76 ABL1 (0.43) ABL1IL2ABCB1
SCHEMBL13729020 0.74 ABL1 (0.42) ABL1IL2ABCB1
SCHEMBL13727631 0.74 ABL1 (0.42) ABL1IL2ABCB1
SCHEMBL15806462 0.71 ABL1 (0.44) ABL1IL2ABCB1
SCHEMBL13728036 0.71 ABL1 (0.44) ABL1IL2ABCB1
SCHEMBL13729007 0.71 ABL1 (0.45) ABL1IL2ABCB1
SCHEMBL13838426 0.70 ABL1 (0.45) ABL1ABCB1
SCHEMBL13838359 0.70 NPC1 (0.43) ABL1ABCB1
SCHEMBL13727823 0.70 GRM5 (0.44) ABL1ABCB1
SCHEMBL13727725 0.69 ABL1 (0.42) ABL1IL2ABCB1

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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