SCHEMBL27890010

SCHEMBL27890010

O=[N+]([O-])c1ccc(NCn2nnc3ccccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.64
▸ ATM Q13315 1/20 0.62
▸ PTK2 Q05397 3/20 0.57
▸ KMT2A Q03164 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ MGAM O43451 2/20 0.52
▸ AMY1A P0DUB6 2/20 0.52
▸ GAA P10253 2/20 0.52
▸ SI P14410 2/20 0.52
▸ MGAM2 Q2M2H8 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ TGM2 P21980 1/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ SLC9A1 P19634 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ FAAH O00519 2/20 0.45
▸ MGLL Q99685 2/20 0.45

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
SCHEMBL9618157 0.85 RPS6KA3 (0.84) RPS6KA3MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL2494163 0.81 RPS6KA3 (0.77) RPS6KA3KMT2AMAPTMGAMAMY1A
SCHEMBL16104116 0.81 PTK2 (0.73) ATMPTK2KMT2AMAPTMGAM
SCHEMBL7261935 0.80 RPS6KA3 (0.53) RPS6KA3ATMPTK2KMT2AMAPT
SCHEMBL22375107 0.79 RPS6KA3 (1.00) RPS6KA3KMT2AMAPTMGAMAMY1A
SCHEMBL3342201 0.79 RPS6KA3 (0.73) RPS6KA3PTK2KMT2AMGAMAMY1A
SCHEMBL2490946 0.79 RPS6KA3 (0.73) RPS6KA3KMT2AMAPTMGAMAMY1A
SCHEMBL7813053 0.77 RPS6KA3 (0.70) RPS6KA3KMT2AMAPTMGAMAMY1A
SCHEMBL2491190 0.75 RPS6KA3 (0.68) RPS6KA3PTK2KMT2AMAPTMGAM
SCHEMBL31267895 0.75 RPS6KA3 (0.68) RPS6KA3PTK2KMT2AMAPTMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102688233-B Benzotriazole Derivative is as the synthesis of RSK2 inhibitor and application EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-02-17 — — CN disclosed
CN-102688233-A Synthesis of benzotriazol derivative as RSK2 inhibitor and application thereof UNIV EAST CHINA SCIENCE & TECH 2012-09-26 — — CN disclosed
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