SCHEMBL27890018

SCHEMBL27890018

N#Cc1ccc(NCn2nnc3ccccc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.68
▸ TSHR P16473 2/20 0.52
▸ GLA P06280 1/20 0.52
▸ SLC9A1 P19634 6/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ POLB P06746 1/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TNKS O95271 1/20 0.46
▸ GRM2 Q14416 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.42

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 0.88 RPS6KA3 (0.84) RPS6KA3TSHRGLASLC9A1MAPT
SCHEMBL2494163 0.83 RPS6KA3 (0.77) RPS6KA3TSHRGLASLC9A1KMT2A
SCHEMBL22375107 0.81 RPS6KA3 (1.00) RPS6KA3SLC9A1KMT2AKDM4EMAPT
SCHEMBL3342201 0.81 RPS6KA3 (0.73) RPS6KA3SLC9A1KMT2AALDH1A1CYP1A2
SCHEMBL2490946 0.81 RPS6KA3 (0.73) RPS6KA3SLC9A1KMT2AMAPTALDH1A1
SCHEMBL2491190 0.77 RPS6KA3 (0.68) RPS6KA3TSHRSLC9A1KMT2AKDM4E
SCHEMBL31267895 0.77 RPS6KA3 (0.68) RPS6KA3TSHRSLC9A1KMT2AKDM4E
SCHEMBL7813053 0.76 RPS6KA3 (0.70) RPS6KA3KMT2AKDM4EMAPTALDH1A1
SCHEMBL27890010 0.75 RPS6KA3 (0.64) RPS6KA3SLC9A1KMT2AMAPTALDH1A1
SCHEMBL3403852 0.74 SLC9A1 (0.63) RPS6KA3TSHRGLASLC9A1MAPT

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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