SCHEMBL13838605

SCHEMBL13838605

CNCC(C=N)c1ccc(C)c(-c2ccc(NC(=O)c3cnccc3C)nc2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 11/20 0.41
▸ IL2 P60568 2/20 0.39
▸ ABCB1 P08183 1/20 0.38
▸ ABCC1 P33527 1/20 0.38
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1E P49674 1/20 0.37
▸ KLRK1 P26718 1/20 0.37
▸ MICA Q29983 1/20 0.37
▸ RAET1L Q5VY80 1/20 0.37
▸ WNT3A P56704 1/20 0.36

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
SCHEMBL13838325 0.93 CSNK1D (0.37) ABL1IL2ABCB1ABCC1CSNK1D
SCHEMBL13838572 0.80 IL2 (0.37) ABL1IL2
SCHEMBL13838602 0.77 ABL1 (0.43) ABL1IL2ABCB1ABCC1CSNK1D
SCHEMBL19228843 0.77 ABL1 (0.42) ABL1IL2ABCB1ABCC1
SCHEMBL13838516 0.76 ABL1 (0.49) ABL1IL2ABCB1ABCC1
SCHEMBL13838456 0.74 NPC1 (0.47) ABL1IL2ABCB1ABCC1
SCHEMBL15806437 0.74 ABL1 (0.43) ABL1IL2ABCB1ABCC1CSNK1D
SCHEMBL13838578 0.72 DYRK1A (0.52) ABL1CSNK1DCSNK1E
SCHEMBL13728434 0.72 ABL1 (0.46) ABL1ABCB1ABCC1
SCHEMBL13730219 0.72 ABL1 (0.43) ABL1IL2ABCB1ABCC1

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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