SCHEMBL5086411

SCHEMBL5086411

O=C(C(=O)c1ncccn1)c1ncccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.52
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ CTNNB1 P35222 1/20 0.43
▸ WNT3A P56704 1/20 0.43
▸ NAPRT Q6XQN6 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ P4HTM Q9NXG6 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ AGER Q15109 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL726451 0.85 P2RX7 (0.46) P2RX7CES2CES1CTNNB1WNT3A
SCHEMBL6556263 0.83 P2RX7 (0.50) P2RX7CES2CES1CTNNB1WNT3A
SCHEMBL10373456 0.80 P2RX7 (0.52) P2RX7CES2CES1CTNNB1WNT3A
SCHEMBL2169832 0.78 — —
SCHEMBL108190 0.78 — —
SCHEMBL27677548 0.78 NAPRT (0.50) P2RX7CES2CES1CTNNB1WNT3A
Hydrochloric Acid SCHEMBL2553231 0.75 NAPRT (0.48) P2RX7CES2CES1CTNNB1WNT3A
SCHEMBL2370675 0.75 — —
SCHEMBL6280626 0.75 — —
SCHEMBL968284 0.75 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 — — WO disclosed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 — — EP disclosed
EP-1786802-A1 PYRIMIDINYLIMIDAZOLES AS TGF-BETA INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-23 — — EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 — — WO disclosed
WO-2006026306-A1 PYRIMIDINYLIMIDAZOLES AS TGF-BETA INHIBITORS BIOGEN IDEC MA INC. (US) 2006-03-09 — — WO disclosed
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