SCHEMBL13838584

SCHEMBL13838584

Cc1c(F)cncc1C(=O)Nc1cnc(-c2cc(C3C=NN(C)C3)ccc2OC(F)(F)F)cn1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.34
▸ IL2 P60568 4/20 0.34
▸ WNT3A P56704 8/20 0.33
▸ ABL1 P00519 5/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ STIM1 Q13586 1/20 0.32
▸ ORAI1 Q96D31 1/20 0.32
▸ ORAI2 Q96SN7 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
SCHEMBL13838419 0.87 STIM1 (0.40) IL2ABL1NTRK1STIM1ORAI1
SCHEMBL13838358 0.80 IL2 (0.42) IL2ABL1NTRK1
SCHEMBL13838577 0.78 IL2 (0.35) IL2ABL1
SCHEMBL13838327 0.76 IL2 (0.43) IL2ABL1
SCHEMBL15806445 0.71 ABL1 (0.43) SCN9AWNT3AABL1NTRK1
SCHEMBL13727622 0.71 IL2 (0.47) IL2STIM1ORAI1
SCHEMBL13838319 0.68 IL2 (0.46) IL2ABL1
SCHEMBL13838376 0.66 STIM1 (0.41) IL2ABL1STIM1ORAI1ORAI2
SCHEMBL13838391 0.66 IL2 (0.41) IL2ABL1
SCHEMBL13838556 0.66 IL2 (0.44) IL2STIM1ORAI1ORAI2

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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