SCHEMBL13838577

SCHEMBL13838577

CCOc1ccc(C2C=NN(C)C2)cc1-c1cnc(NC(=O)c2cnccc2C)cn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ ABL1 P00519 5/20 0.34
▸ MAP4K1 Q92918 3/20 0.33
▸ GSK3B P49841 3/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CSNK1D P48730 1/20 0.32
▸ CSNK1E P49674 1/20 0.32
▸ CCR5 P51681 2/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL13838327 0.89 IL2 (0.43) IL2ABL1MAP4K1CSNK1DCSNK1E
SCHEMBL13838349 0.79 LRRK2 (0.46) IL2MAP4K1GSK3BCSNK1DCSNK1E
SCHEMBL13838584 0.78 SCN9A (0.34) IL2ABL1
SCHEMBL13838419 0.75 STIM1 (0.40) IL2ABL1
SCHEMBL13728877 0.71 AXL (0.45) IL2ABL1GSK3B
SCHEMBL13838418 0.71 STIM1 (0.38) IL2ABL1MAP4K1CSNK1DCSNK1E
SCHEMBL13727071 0.71 DYRK1A (0.47) IL2GSK3BCSNK1DCSNK1E
SCHEMBL13838345 0.70 KDM1A (0.40) IL2ABL1MAP4K1
SCHEMBL13727394 0.69 IL2 (0.46) IL2ABL1MAP4K1
SCHEMBL15803768 0.69 IL2 (0.43) IL2ABL1MAP4K1

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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