SCHEMBL2490946

SCHEMBL2490946

Clc1ccc(NCn2nnc3ccccc32)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.73
▸ TDP1 Q9NUW8 1/20 0.65
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ MGAM O43451 1/20 0.56
▸ AMY1A P0DUB6 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ SI P14410 1/20 0.56
▸ MGAM2 Q2M2H8 1/20 0.56
▸ SLC9A1 P19634 5/20 0.54
▸ GRM2 Q14416 5/20 0.53
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ POLB P06746 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MAPK1 P28482 1/20 0.49

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 0.92 RPS6KA3 (0.84) RPS6KA3TDP1NPC1RAB9ASLC9A1
SCHEMBL2494163 0.87 RPS6KA3 (0.77) RPS6KA3TDP1NPC1RAB9AMGAM
SCHEMBL3342201 0.84 RPS6KA3 (0.73) RPS6KA3NPC1RAB9AMGAMAMY1A
SCHEMBL22375107 0.84 RPS6KA3 (1.00) RPS6KA3NPC1RAB9AMGAMAMY1A
SCHEMBL2494276 0.84 RPS6KA3 (0.59) RPS6KA3TDP1NPC1RAB9AMGAM
SCHEMBL31267895 0.81 RPS6KA3 (0.68) RPS6KA3NPC1RAB9AMGAMAMY1A
SCHEMBL2491190 0.81 RPS6KA3 (0.68) RPS6KA3NPC1RAB9AMGAMAMY1A
SCHEMBL7813053 0.80 RPS6KA3 (0.70) RPS6KA3NPC1RAB9AMGAMAMY1A
SCHEMBL2490331 0.78 RPS6KA3 (0.60) RPS6KA3TDP1NPC1RAB9AMGAM
SCHEMBL3403852 0.78 SLC9A1 (0.63) RPS6KA3TDP1NPC1RAB9AMGAM

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-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
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 — — US disclosed
CN-102688233-A Synthesis of benzotriazol derivative as RSK2 inhibitor and application thereof UNIV EAST CHINA SCIENCE & TECH 2012-09-26 — — CN disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 — — EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 — — WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 — — US disclosed
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