SCHEMBL11065514

SCHEMBL11065514

CC(=O)Nc1nc(-c2ccccc2)c(CCOC(C)=O)c2ncnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.41
▸ KDM4E B2RXH2 6/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SLC16A3 O15427 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
SCHEMBL11061056 0.90 MAPT (0.40) PKMKDM4ERECQLMEN1CYP1A2
SCHEMBL11067372 0.86 TDP1 (0.41) PKMMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL11070733 0.85 ALDH1A1 (0.39) PKMKDM4ERECQLMEN1CYP1A2
SCHEMBL11060121 0.84 RAD52 (0.39) KDM4ERECQLMEN1CYP1A2KMT2A
SCHEMBL11071117 0.84 P2RX7 (0.43) PKMKDM4EMEN1CYP2C19KMT2A
SCHEMBL11063254 0.77 PKM (0.38) PKMKDM4EMEN1CYP1A2CYP2C9
SCHEMBL11064822 0.74 MAPT (0.41) KDM4ERECQLMEN1KMT2AALDH1A1
SCHEMBL11017984 0.72 RAD52 (0.34) KDM4ERECQLCYP1A2CYP2C9CYP2C19
SCHEMBL11071024 0.71 FAAH (0.36) KDM4ECYP2C19HPGDMAPTLMNA
Bemitradine SCHEMBL121173 0.67 KDM4E (0.36) KDM4EMEN1CYP1A2KMT2AALDH1A1

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
EP-0129247-A1 8-Substituted 7-phenyl-1,2,4-triazolo [2,3-c] pyrimidines-5-amines and amides G.D. Searle & Co. (US) 1984-12-27 — — EP claimed
US-4483987-A 8-Substituted 7-phenyl-1,2,4-triazolo[2,3-c]pyrimidines-5-amines and amides G. D. SEARLE & CO. (US) 1984-11-20 — — US claimed
US-4483987-A 8-Substituted 7-phenyl-1,2,4-triazolo[2,3-c]pyrimidines-5-amines and amides G. D. SEARLE & CO. (US) 1984-11-20 — — US disclosed
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