SCHEMBL27751392

SCHEMBL27751392

Nc1ccc2[nH]c(-n3ncc4ccccc43)cc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.37
▸ NCF1 P14598 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ PDE10A Q9Y233 6/20 0.35
▸ MGAM O43451 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35
▸ KHK P50053 1/20 0.34
▸ F7 P08709 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32

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
SCHEMBL28778027 0.81 IRAK4 (0.40) KDM4ENPC1RAB9APAX8CYP11B1
SCHEMBL5635166 0.78 CYP11B1 (0.40) KDM4ENPC1RAB9APAX8CYP11B1
SCHEMBL15904082 0.68 PDE10A (0.51) CYP11B1CYP11B2PDE10AKHKLRRK2
SCHEMBL6281434 0.67 AURKA (0.55) KDM4ENPC1RAB9APAX8
SCHEMBL24976098 0.66 PLAU (0.39) BACE1NCF1NOS2F7MEN1
SCHEMBL6664820 0.65 TRPA1 (0.45) BACE1KDM4ENPC1RAB9APAX8
SCHEMBL13052911 0.65 CYP11B2 (0.55) KDM4ENPC1RAB9ACYP11B1CYP11B2
SCHEMBL20603936 0.63 MGAM (0.49) KDM4ENPC1RAB9ACYP11B1CYP11B2
SCHEMBL14688616 0.63 PDE10A (0.43) KDM4ECYP11B1CYP11B2PDE10AMGAM
SCHEMBL2627244 0.63 IRAK4 (0.53) KDM4ENPC1RAB9ACYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101440092-B 2-indazole-4-aza indole-5-amino derivatives, and preparation and use thereof UNIV ZHEJIANG 2010-11-17 — — CN claimed
CN-101440092-A 2-indazole-4-aza indole-5-amino derivatives, and preparation and use thereof UNIV ZHEJIANG (CN) 2009-05-27 — — CN claimed
CN-101440092-B 2-indazole-4-aza indole-5-amino derivatives, and preparation and use thereof UNIV ZHEJIANG 2010-11-17 — — CN disclosed
CN-101440092-B 2-indazole-4-aza indole-5-amino derivatives, and preparation and use thereof UNIV ZHEJIANG 2010-11-17 — — CN disclosed
CN-101440092-A 2-indazole-4-aza indole-5-amino derivatives, and preparation and use thereof UNIV ZHEJIANG (CN) 2009-05-27 — — CN disclosed
CN-101440092-A 2-indazole-4-aza indole-5-amino derivatives, and preparation and use thereof UNIV ZHEJIANG (CN) 2009-05-27 — — CN disclosed
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