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Sugi Predict / Compounds / SCHEMBL3476175

SCHEMBL3476175

SCHEMBL3476175

CC(C)(C)Cn1nnc2c(Br)c(-c3ccnc(CO)c3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 1/20 0.36
▸ CSNK1E P49674 1/20 0.36
▸ GRM2 Q14416 2/20 0.34
▸ S1PR1 P21453 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31
▸ SHMT1 P34896 1/20 0.31
▸ SHMT2 P34897 1/20 0.31

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
SCHEMBL3475915 0.85 DYRK1A (0.35) GRM2
SCHEMBL3475397 0.84 GRM2 (0.36) GRM2S1PR1
SCHEMBL3476662 0.84 GRM2 (0.35) GRM2
SCHEMBL3475817 0.84 GRM2 (0.36) GRM2
SCHEMBL3474766 0.80 GRM2 (0.39) GRM2
SCHEMBL7819300 0.78 GRM2 (0.39) GRM2
SCHEMBL3469755 0.77 CNR1 (0.37) GRM2
SCHEMBL3476138 0.77 GRM2 (0.38) GRM2
SCHEMBL3474988 0.77 GRM2 (0.35) GRM2
SCHEMBL3476520 0.77 RAB9A (0.41) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010141360-A1 BIARYL BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-12-09 — — WO claimed
WO-2010141360-A1 BIARYL BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-12-09 — — WO disclosed
WO-2010141360-A1 BIARYL BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-12-09 — — WO disclosed