SCHEMBL31590599

SCHEMBL31590599

CCNC(=O)Nc1cc(C)nn1-c1nc(C)c(C)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADCY8 P40145 11/20 0.51
▸ SLC2A1 P11166 3/20 0.51
▸ ADCY1 Q08828 14/20 0.47
▸ HTR2B P41595 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL31590939 0.87 SLC2A1 (0.47) ADCY8SLC2A1ADCY1HTR2BKDM4E
SCHEMBL31590694 0.87 SLC2A1 (0.47) ADCY8SLC2A1ADCY1HTR2BKDM4E
SCHEMBL31590616 0.84 SLC2A1 (0.47) ADCY8SLC2A1ADCY1HTR2BKDM4E
SCHEMBL31590680 0.83 SLC2A1 (0.46) ADCY8SLC2A1ADCY1HTR2BKDM4E
SCHEMBL31590900 0.82 KCNJ6 (0.62) ADCY8SLC2A1ADCY1KDM4E
SCHEMBL31591016 0.81 KMT2A (0.58) ADCY8SLC2A1ADCY1
SCHEMBL31591054 0.79 SLC2A1 (0.45) ADCY8SLC2A1ADCY1KDM4E
SCHEMBL31590750 0.79 MAPT (0.50) ADCY8SLC2A1ADCY1HTR2BKDM4E
SCHEMBL23249513 0.76 SLC2A1 (0.67) ADCY8SLC2A1ADCY1HTR2B
SCHEMBL31590956 0.76 SLC2A1 (0.43) ADCY8SLC2A1ADCY1HTR2BKDM4E

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-120040420-A Heterocyclic-pyrazole amine derivatives, preparation method thereof and application thereof in resisting tubercle bacillus infection 中国医学科学院医药生物技术研究所 2025-05-27 — — CN disclosed
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