SCHEMBL30675580

SCHEMBL30675580

COc1ccc(NC(=O)CSc2nc3cncc(C)c3[nH]2)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 17/20 0.68
▸ FPR2 P25090 1/20 0.64
▸ ENPP3 O14638 1/20 0.59
▸ ENPP2 Q13822 1/20 0.59
▸ TSHR P16473 1/20 0.58

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
SCHEMBL20679541 1.00 ENPP1 (0.68) ENPP1FPR2ENPP3ENPP2TSHR
SCHEMBL20679610 0.92 ENPP1 (0.65) ENPP1FPR2
SCHEMBL20679547 0.92 ENPP1 (0.65) ENPP1FPR2
SCHEMBL20687568 0.84 ENPP1 (0.72) ENPP1FPR2ENPP3ENPP2
SCHEMBL20679568 0.84 ENPP1 (0.74) ENPP1FPR2
SCHEMBL30675581 0.84 ENPP1 (0.74) ENPP1FPR2
SCHEMBL30675627 0.81 LMNA (0.60) TSHR
SCHEMBL20679542 0.81 LMNA (0.60) TSHR
SCHEMBL20305107 0.79 ENPP1 (0.73) ENPP1FPR2ENPP3ENPP2TSHR
SCHEMBL20305142 0.78 ENPP1 (0.74) ENPP1FPR2ENPP3ENPP2

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
CN-111615388-B Immunotherapeutic agent for cancer 斯汀格瑞治疗股份有限公司 2023-11-14 — — CN disclosed
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