SCHEMBL13838327

SCHEMBL13838327

Cc1ccncc1C(=O)Nc1cnc(-c2cc(C3C=NN(C)C3)ccc2C)cn1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 8/20 0.43
▸ ABL1 P00519 5/20 0.39
▸ MAP4K1 Q92918 4/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 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
SCHEMBL13838577 0.89 IL2 (0.35) IL2ABL1MAP4K1CSNK1DCSNK1E
SCHEMBL13838419 0.79 STIM1 (0.40) IL2ABL1
SCHEMBL13727779 0.77 IL2 (0.51) IL2ABL1MAP4K1
SCHEMBL13729449 0.77 IL2 (0.51) IL2ABL1MAP4K1
SCHEMBL13838505 0.76 IL2 (0.53) IL2CSNK1DCSNK1E
SCHEMBL13838584 0.76 SCN9A (0.34) IL2ABL1
SCHEMBL13838385 0.75 IL2 (0.54) IL2CSNK1DCSNK1E
SCHEMBL13727394 0.75 IL2 (0.46) IL2ABL1MAP4K1
SCHEMBL13838418 0.75 STIM1 (0.38) IL2ABL1MAP4K1CSNK1DCSNK1E
SCHEMBL13838562 0.75 IL2 (0.48) IL2ABL1CSNK1DCSNK1E

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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